1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea

C23H32N8O2 — CID 51961680

IUPAC1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
SMILESCc1ccc(NC(=O)NC[C@@H](C)Cn2cccn2)cc1NC(=O)NC[C@@H](C)Cn1cccn1
InChIInChI=1S/C23H32N8O2/c1-17(15-30-10-4-8-26-30)13-24-22(32)28-20-7-6-19(3)21(12-20)29-23(33)25-14-18(2)16-31-11-5-9-27-31/h4-12,17-18H,13-16H2,1-3H3,(H2,24,28,32)(H2,25,29,33)/t17-,18-/m1/s1
InChIKeyMJSIQBWDEGQMQE-QZTJIDSGSA-N
MW452.56 g/mol
LogP3.30
Rot. Bonds10

About 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea

1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea (PubChem CID 51961680) has the molecular formula C23H32N8O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea.

Molecular Properties

Compound Name1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
PubChem CID51961680
Molecular FormulaC23H32N8O2
Molecular Weight452.56 g/mol
Exact Mass452.26
IUPAC Name1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
SMILESCc1ccc(NC(=O)NC[C@@H](C)Cn2cccn2)cc1NC(=O)NC[C@@H](C)Cn1cccn1
InChIInChI=1S/C23H32N8O2/c1-17(15-30-10-4-8-26-30)13-24-22(32)28-20-7-6-19(3)21(12-20)29-23(33)25-14-18(2)16-31-11-5-9-27-31/h4-12,17-18H,13-16H2,1-3H3,(H2,24,28,32)(H2,25,29,33)/t17-,18-/m1/s1
InChIKeyMJSIQBWDEGQMQE-QZTJIDSGSA-N
XLogP3.30
TPSA117.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea with MolForge

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Related Compounds

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CID 49281031
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CID 95981249
1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 95761803
1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
CID 94437016
methyl 3-(dimethylamino)-4-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoylamino]benzoate
CID 102562954
1-[2-[methyl-bis(trimethylsilyloxy)silyl]propyl]-3-[2-methyl-5-[2-[methyl-bis(trimethylsilyloxy)silyl]propylcarbamoylamino]phenyl]urea
CID 59012749
1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 51124441
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
1-[(2R)-2-ethylhexyl]-3-[3-[[(2R)-2-ethylhexyl]carbamoylamino]-4-methylphenyl]urea
CID 101499424
1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
N-[2-methyl-5-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]acetamide
CID 55745163

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
The IUPAC name of 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea (CID 51961680) is 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea.
What is the SMILES notation for 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
The canonical SMILES for 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea is Cc1ccc(NC(=O)NC[C@@H](C)Cn2cccn2)cc1NC(=O)NC[C@@H](C)Cn1cccn1.
What is the InChIKey of 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
The InChIKey is MJSIQBWDEGQMQE-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-17(15-30-10-4-8-26-30)13-24-22(32)28-20-7-6-19(3)21(12-20)29-23(33)25-14-18(2)16-31-11-5-9-27-31/h4-12,17-18H,13-16H2,1-3H3,(H2,24,28,32)(H2,25,29,33)/t17-,18-/m1/s1.
What are the key properties of 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea?
1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea has a molecular weight of 452.56 g/mol, XLogP of 3.30, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-[[(2R)-2-methyl-3-pyrazol-1-ylpropyl]carbamoylamino]phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea is sourced from PubChem (CID 51961680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).