N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

C15H22N6O — CID 110257821

IUPACN,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN1Cc1nccn1C
InChIInChI=1S/C15H22N6O/c1-19(2)15(22)11-9-17-18-14(11)12-5-4-7-21(12)10-13-16-6-8-20(13)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,17,18)
InChIKeyLULRMZWFSPQDCG-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.18
Rot. Bonds4

About N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110257821) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID110257821
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCN1Cc1nccn1C
InChIInChI=1S/C15H22N6O/c1-19(2)15(22)11-9-17-18-14(11)12-5-4-7-21(12)10-13-16-6-8-20(13)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,17,18)
InChIKeyLULRMZWFSPQDCG-UHFFFAOYSA-N
XLogP1.18
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 110257821) is N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCCN1Cc1nccn1C.
What is the InChIKey of N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is LULRMZWFSPQDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-19(2)15(22)11-9-17-18-14(11)12-5-4-7-21(12)10-13-16-6-8-20(13)3/h6,8-9,12H,4-5,7,10H2,1-3H3,(H,17,18).
What are the key properties of N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110257821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).