N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide

C34H36N12O2 — CID 177025874

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
SMILESCc1ccnc(-n2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)n2)c1.Cc1ccnc(-n2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/2C17H18N6O/c2*1-11-4-6-18-16(8-11)23-7-5-13(22-23)9-17(24)19-15-10-14(20-21-15)12-2-3-12/h2*4-8,10,12H,2-3,9H2,1H3,(H2,19,20,21,24)
InChIKeyKUWJNHXVUHFBPC-UHFFFAOYSA-N
MW644.74 g/mol
LogP4.71
Rot. Bonds10

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide (PubChem CID 177025874) has the molecular formula C34H36N12O2 and a molecular weight of 644.74 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
PubChem CID177025874
Molecular FormulaC34H36N12O2
Molecular Weight644.74 g/mol
Exact Mass644.31
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
SMILESCc1ccnc(-n2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)n2)c1.Cc1ccnc(-n2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)n2)c1
InChIInChI=1S/2C17H18N6O/c2*1-11-4-6-18-16(8-11)23-7-5-13(22-23)9-17(24)19-15-10-14(20-21-15)12-2-3-12/h2*4-8,10,12H,2-3,9H2,1H3,(H2,19,20,21,24)
InChIKeyKUWJNHXVUHFBPC-UHFFFAOYSA-N
XLogP4.71
TPSA176.98 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.74
LogP ≤ 54.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide (CID 177025874) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide is Cc1ccnc(-n2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)n2)c1.Cc1ccnc(-n2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)n2)c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
The InChIKey is KUWJNHXVUHFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18N6O/c2*1-11-4-6-18-16(8-11)23-7-5-13(22-23)9-17(24)19-15-10-14(20-21-15)12-2-3-12/h2*4-8,10,12H,2-3,9H2,1H3,(H2,19,20,21,24).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide has a molecular weight of 644.74 g/mol, XLogP of 4.71, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 177025874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).