5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

C24H30N6OS — CID 45165983

IUPAC5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)CC3CCCN(C)C3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C24H30N6OS/c1-16-12-25-24(27-21(16)20-7-5-11-32-20)30-22(18-8-9-18)19(13-26-30)23(31)29(3)15-17-6-4-10-28(2)14-17/h5,7,11-13,17-18H,4,6,8-10,14-15H2,1-3H3
InChIKeyNQVNQDNPUXBOQX-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.99
Rot. Bonds6

About 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 45165983) has the molecular formula C24H30N6OS and a molecular weight of 450.61 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID45165983
Molecular FormulaC24H30N6OS
Molecular Weight450.61 g/mol
Exact Mass450.22
IUPAC Name5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1cnc(-n2ncc(C(=O)N(C)CC3CCCN(C)C3)c2C2CC2)nc1-c1cccs1
InChIInChI=1S/C24H30N6OS/c1-16-12-25-24(27-21(16)20-7-5-11-32-20)30-22(18-8-9-18)19(13-26-30)23(31)29(3)15-17-6-4-10-28(2)14-17/h5,7,11-13,17-18H,4,6,8-10,14-15H2,1-3H3
InChIKeyNQVNQDNPUXBOQX-UHFFFAOYSA-N
XLogP3.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide (CID 45165983) is 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is Cc1cnc(-n2ncc(C(=O)N(C)CC3CCCN(C)C3)c2C2CC2)nc1-c1cccs1.
What is the InChIKey of 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is NQVNQDNPUXBOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6OS/c1-16-12-25-24(27-21(16)20-7-5-11-32-20)30-22(18-8-9-18)19(13-26-30)23(31)29(3)15-17-6-4-10-28(2)14-17/h5,7,11-13,17-18H,4,6,8-10,14-15H2,1-3H3.
What are the key properties of 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45165983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).