1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea

C14H17N5O — CID 166410481

IUPAC1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
SMILESCc1cnc(NC(=O)Nc2cn[nH]c2C2CC2)cc1C
InChIInChI=1S/C14H17N5O/c1-8-5-12(15-6-9(8)2)18-14(20)17-11-7-16-19-13(11)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,19)(H2,15,17,18,20)
InChIKeyJIJCPFKUCGPWMA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.94
Rot. Bonds3

About 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea

1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea (PubChem CID 166410481) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
PubChem CID166410481
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea
SMILESCc1cnc(NC(=O)Nc2cn[nH]c2C2CC2)cc1C
InChIInChI=1S/C14H17N5O/c1-8-5-12(15-6-9(8)2)18-14(20)17-11-7-16-19-13(11)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,19)(H2,15,17,18,20)
InChIKeyJIJCPFKUCGPWMA-UHFFFAOYSA-N
XLogP2.94
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea (CID 166410481) is 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea is Cc1cnc(NC(=O)Nc2cn[nH]c2C2CC2)cc1C.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea?
The InChIKey is JIJCPFKUCGPWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8-5-12(15-6-9(8)2)18-14(20)17-11-7-16-19-13(11)10-3-4-10/h5-7,10H,3-4H2,1-2H3,(H,16,19)(H2,15,17,18,20).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea?
1-(5-cyclopropyl-1H-pyrazol-4-yl)-3-(4,5-dimethyl-2-pyridinyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.94, 3 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-(4,5-dimethyl-2-pyridinyl)urea is sourced from PubChem (CID 166410481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).