N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

C17H24N6O — CID 133108255

IUPACN-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCC(C)n1cc(CN(C)C(=O)C2CC(c3ccncc3)NN2)cn1
InChIInChI=1S/C17H24N6O/c1-12(2)23-11-13(9-19-23)10-22(3)17(24)16-8-15(20-21-16)14-4-6-18-7-5-14/h4-7,9,11-12,15-16,20-21H,8,10H2,1-3H3
InChIKeyKIXMGZMXCRWKST-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.43
Rot. Bonds5

About N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide

N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (PubChem CID 133108255) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
PubChem CID133108255
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide
SMILESCC(C)n1cc(CN(C)C(=O)C2CC(c3ccncc3)NN2)cn1
InChIInChI=1S/C17H24N6O/c1-12(2)23-11-13(9-19-23)10-22(3)17(24)16-8-15(20-21-16)14-4-6-18-7-5-14/h4-7,9,11-12,15-16,20-21H,8,10H2,1-3H3
InChIKeyKIXMGZMXCRWKST-UHFFFAOYSA-N
XLogP1.43
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide (CID 133108255) is N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is CC(C)n1cc(CN(C)C(=O)C2CC(c3ccncc3)NN2)cn1.
What is the InChIKey of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
The InChIKey is KIXMGZMXCRWKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12(2)23-11-13(9-19-23)10-22(3)17(24)16-8-15(20-21-16)14-4-6-18-7-5-14/h4-7,9,11-12,15-16,20-21H,8,10H2,1-3H3.
What are the key properties of N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide?
N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-pyridin-4-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 133108255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).