N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide

C22H24N4O2 — CID 134325421

IUPACN-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-9-19(11-23-12-20)26-13-17(10-24-26)21-8-16(5-4-15(21)3)22(27)25-18-6-7-18/h4-5,8-14,18H,6-7H2,1-3H3,(H,25,27)
InChIKeyJHJWBBGGODHDLF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.92
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide (PubChem CID 134325421) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide
PubChem CID134325421
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC(C)C)c2)c1
InChIInChI=1S/C22H24N4O2/c1-14(2)28-20-9-19(11-23-12-20)26-13-17(10-24-26)21-8-16(5-4-15(21)3)22(27)25-18-6-7-18/h4-5,8-14,18H,6-7H2,1-3H3,(H,25,27)
InChIKeyJHJWBBGGODHDLF-UHFFFAOYSA-N
XLogP3.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide (CID 134325421) is N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(OC(C)C)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide?
The InChIKey is JHJWBBGGODHDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14(2)28-20-9-19(11-23-12-20)26-13-17(10-24-26)21-8-16(5-4-15(21)3)22(27)25-18-6-7-18/h4-5,8-14,18H,6-7H2,1-3H3,(H,25,27).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(5-propan-2-yloxy-3-pyridinyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).