1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

C17H25N7O — CID 95272461

IUPAC1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCc1nn(C)cc1[C@@H](C)NC(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H25N7O/c1-12(15-11-23(3)22-13(15)2)20-17(25)21-14-5-9-24(10-6-14)16-18-7-4-8-19-16/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3,(H2,20,21,25)/t12-/m1/s1
InChIKeyZYWBYKRLRBHIDW-GFCCVEGCSA-N
MW343.44 g/mol
LogP1.55
Rot. Bonds4

About 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (PubChem CID 95272461) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
PubChem CID95272461
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
SMILESCc1nn(C)cc1[C@@H](C)NC(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H25N7O/c1-12(15-11-23(3)22-13(15)2)20-17(25)21-14-5-9-24(10-6-14)16-18-7-4-8-19-16/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3,(H2,20,21,25)/t12-/m1/s1
InChIKeyZYWBYKRLRBHIDW-GFCCVEGCSA-N
XLogP1.55
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 71893318
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)urea
CID 71990300
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
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1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 94029201
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
N-cyclopropyl-2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]acetamide
CID 65192220
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 95767117
2-(5-methyl-2-propan-2-ylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 51115668
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71991324
(1R,2R,3R,4R)-3-[[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124805817

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea (CID 95272461) is 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is Cc1nn(C)cc1[C@@H](C)NC(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
The InChIKey is ZYWBYKRLRBHIDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12(15-11-23(3)22-13(15)2)20-17(25)21-14-5-9-24(10-6-14)16-18-7-4-8-19-16/h4,7-8,11-12,14H,5-6,9-10H2,1-3H3,(H2,20,21,25)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea?
1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea has a molecular weight of 343.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 95272461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).