2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide

C18H25N7O — CID 53185803

IUPAC2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C18H25N7O/c1-23-15(6-7-21-23)18(26)22-14-5-4-10-25(12-14)17-11-16(19-13-20-17)24-8-2-3-9-24/h6-7,11,13-14H,2-5,8-10,12H2,1H3,(H,22,26)
InChIKeyDCMWULWCAAOJDB-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.21
Rot. Bonds4

About 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide

2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 53185803) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID53185803
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C18H25N7O/c1-23-15(6-7-21-23)18(26)22-14-5-4-10-25(12-14)17-11-16(19-13-20-17)24-8-2-3-9-24/h6-7,11,13-14H,2-5,8-10,12H2,1H3,(H,22,26)
InChIKeyDCMWULWCAAOJDB-UHFFFAOYSA-N
XLogP1.21
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 53185803) is 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is DCMWULWCAAOJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-23-15(6-7-21-23)18(26)22-14-5-4-10-25(12-14)17-11-16(19-13-20-17)24-8-2-3-9-24/h6-7,11,13-14H,2-5,8-10,12H2,1H3,(H,22,26).
What are the key properties of 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 355.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 53185803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).