1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea

C17H23N5O — CID 166244026

IUPAC1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
SMILESCC(C)CCc1ccc(NC(=O)Nc2cn[nH]c2C2CC2)nc1
InChIInChI=1S/C17H23N5O/c1-11(2)3-4-12-5-8-15(18-9-12)21-17(23)20-14-10-19-22-16(14)13-6-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,19,22)(H2,18,20,21,23)
InChIKeyOJUSFJJNFHUPEP-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.91
Rot. Bonds6

About 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea

1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea (PubChem CID 166244026) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
PubChem CID166244026
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
SMILESCC(C)CCc1ccc(NC(=O)Nc2cn[nH]c2C2CC2)nc1
InChIInChI=1S/C17H23N5O/c1-11(2)3-4-12-5-8-15(18-9-12)21-17(23)20-14-10-19-22-16(14)13-6-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,19,22)(H2,18,20,21,23)
InChIKeyOJUSFJJNFHUPEP-UHFFFAOYSA-N
XLogP3.91
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
CID 166410481
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(6-cyclopropylpyridazin-3-yl)urea
CID 166243941
1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166292729
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[4-(hydroxymethyl)phenyl]urea
CID 166262560
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(3-propan-2-ylpyrazin-2-yl)urea
CID 167867415
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(1,5-naphthyridin-2-yl)urea
CID 167913870
1-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea
CID 167837348
1-(4-tert-butylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166280851
1-(4-cyclobutylpyrimidin-2-yl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
CID 166281005
2-bromo-N-[5-(cyclopropylmethyl)-2-pyridinyl]propanamide
CID 163238093
1-(5-methyl-1H-pyrazol-4-yl)-3-(5-methyl-2-pyridinyl)urea
CID 166404732
N-[5-(3-methylbutyl)-2-pyridinyl]-4-(oxan-2-yl)piperidine-1-carboxamide
CID 136553393

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea (CID 166244026) is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea is CC(C)CCc1ccc(NC(=O)Nc2cn[nH]c2C2CC2)nc1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
The InChIKey is OJUSFJJNFHUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(2)3-4-12-5-8-15(18-9-12)21-17(23)20-14-10-19-22-16(14)13-6-7-13/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,19,22)(H2,18,20,21,23).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea?
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea has a molecular weight of 313.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-[5-(3-methylbutyl)-2-pyridinyl]urea is sourced from PubChem (CID 166244026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).