1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea

C12H15N5O — CID 95152555

IUPAC1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccn[nH]1)c1ccncc1
InChIInChI=1S/C12H15N5O/c1-9(10-2-5-13-6-3-10)16-12(18)14-8-11-4-7-15-17-11/h2-7,9H,8H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m1/s1
InChIKeyKRSULMXJMAFZEE-SECBINFHSA-N
MW245.29 g/mol
LogP1.37
Rot. Bonds4

About 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea

1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea (PubChem CID 95152555) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
PubChem CID95152555
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
SMILESC[C@@H](NC(=O)NCc1ccn[nH]1)c1ccncc1
InChIInChI=1S/C12H15N5O/c1-9(10-2-5-13-6-3-10)16-12(18)14-8-11-4-7-15-17-11/h2-7,9H,8H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m1/s1
InChIKeyKRSULMXJMAFZEE-SECBINFHSA-N
XLogP1.37
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 94030672
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084955
1-[(1R)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 94120512
1-(2,2-dimethylpropyl)-3-(1-pyridin-4-ylethyl)urea
CID 110748297
1-(2-hydroxy-1-phenylethyl)-3-(1H-pyrazol-5-ylmethyl)urea
CID 110895797
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60975273
1-[(4-methylphenyl)-thiophen-2-ylmethyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51083728
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 97314303
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea (CID 95152555) is 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea is C[C@@H](NC(=O)NCc1ccn[nH]1)c1ccncc1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
The InChIKey is KRSULMXJMAFZEE-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9(10-2-5-13-6-3-10)16-12(18)14-8-11-4-7-15-17-11/h2-7,9H,8H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m1/s1.
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea?
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea has a molecular weight of 245.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 95152555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).