1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea

C11H13N5O — CID 95130503

IUPAC1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1cn[nH]c1)c1ccncc1
InChIInChI=1S/C11H13N5O/c1-8(9-2-4-12-5-3-9)15-11(17)16-10-6-13-14-7-10/h2-8H,1H3,(H,13,14)(H2,15,16,17)/t8-/m0/s1
InChIKeyPJJDSFBXXCSOPG-QMMMGPOBSA-N
MW231.26 g/mol
LogP1.69
Rot. Bonds3

About 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea

1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea (PubChem CID 95130503) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
PubChem CID95130503
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
SMILESC[C@H](NC(=O)Nc1cn[nH]c1)c1ccncc1
InChIInChI=1S/C11H13N5O/c1-8(9-2-4-12-5-3-9)15-11(17)16-10-6-13-14-7-10/h2-8H,1H3,(H,13,14)(H2,15,16,17)/t8-/m0/s1
InChIKeyPJJDSFBXXCSOPG-QMMMGPOBSA-N
XLogP1.69
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(1-pyridin-4-ylethyl)urea
CID 45147289
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94038782
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 47246815
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-naphthalen-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 45147279
1-[(1R)-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 129369386
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-(3-methoxyphenyl)-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 103853156
1-[3-(1-aminoethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 61340581
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
1-(4-chloro-3-methoxyphenyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 99841259

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The IUPAC name of 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea (CID 95130503) is 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea is C[C@H](NC(=O)Nc1cn[nH]c1)c1ccncc1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
The InChIKey is PJJDSFBXXCSOPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8(9-2-4-12-5-3-9)15-11(17)16-10-6-13-14-7-10/h2-8H,1H3,(H,13,14)(H2,15,16,17)/t8-/m0/s1.
What are the key properties of 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea?
1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea has a molecular weight of 231.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea is sourced from PubChem (CID 95130503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).