N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide

C12H18N4O — CID 106599332

IUPACN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H18N4O/c17-12(9-6-14-15-7-9)16(11-3-4-11)8-10-2-1-5-13-10/h6-7,10-11,13H,1-5,8H2,(H,14,15)
InChIKeyYQDDLFNSTBCCML-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.77
Rot. Bonds4

About N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 106599332) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID106599332
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(c1cn[nH]c1)N(CC1CCCN1)C1CC1
InChIInChI=1S/C12H18N4O/c17-12(9-6-14-15-7-9)16(11-3-4-11)8-10-2-1-5-13-10/h6-7,10-11,13H,1-5,8H2,(H,14,15)
InChIKeyYQDDLFNSTBCCML-UHFFFAOYSA-N
XLogP0.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-hydroxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106599374
2-[cyclopropyl(1H-pyrazole-4-carbonyl)amino]acetic acid
CID 60825684
N-cyclopropyl-4-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974197
N-cyclopropyl-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 128964575
N-cyclopentyl-N-prop-2-enyl-1H-pyrazole-4-carboxamide
CID 60959160
5-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106626904
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626967
N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
N-cyclopropyl-3-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 104974147
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
CID 79111863
N-[(3-aminophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 63086101

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide (CID 106599332) is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide is O=C(c1cn[nH]c1)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YQDDLFNSTBCCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(9-6-14-15-7-9)16(11-3-4-11)8-10-2-1-5-13-10/h6-7,10-11,13H,1-5,8H2,(H,14,15).
What are the key properties of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide?
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106599332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).