1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea

C18H22N6O — CID 94031495

IUPAC1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
SMILESCc1c([C@@H](C)NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cnn1C
InChIInChI=1S/C18H22N6O/c1-12(16-11-21-24(3)13(16)2)22-18(25)19-10-14-4-6-15(7-5-14)17-8-9-20-23-17/h4-9,11-12H,10H2,1-3H3,(H,20,23)(H2,19,22,25)/t12-/m1/s1
InChIKeyBJTWKMQPVYUTIZ-GFCCVEGCSA-N
MW338.42 g/mol
LogP2.68
Rot. Bonds5

About 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea

1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea (PubChem CID 94031495) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
PubChem CID94031495
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
SMILESCc1c([C@@H](C)NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cnn1C
InChIInChI=1S/C18H22N6O/c1-12(16-11-21-24(3)13(16)2)22-18(25)19-10-14-4-6-15(7-5-14)17-8-9-20-23-17/h4-9,11-12H,10H2,1-3H3,(H,20,23)(H2,19,22,25)/t12-/m1/s1
InChIKeyBJTWKMQPVYUTIZ-GFCCVEGCSA-N
XLogP2.68
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 94173510
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 95975932
1-(dicyclopropylmethyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 71893433
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 94183164
1-[3-(3,4-dimethoxyphenyl)propyl]-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 47080011
1-(1,5-dimethylpyrazol-4-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 19625587
4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]benzoic acid
CID 65347777
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635730
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
6-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46975846

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea (CID 94031495) is 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea is Cc1c([C@@H](C)NC(=O)NCc2ccc(-c3ccn[nH]3)cc2)cnn1C.
What is the InChIKey of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
The InChIKey is BJTWKMQPVYUTIZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12(16-11-21-24(3)13(16)2)22-18(25)19-10-14-4-6-15(7-5-14)17-8-9-20-23-17/h4-9,11-12H,10H2,1-3H3,(H,20,23)(H2,19,22,25)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea?
1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea has a molecular weight of 338.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea is sourced from PubChem (CID 94031495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).