1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide

C11H18N4O — CID 119511592

IUPAC1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCN2)cn1
InChIInChI=1S/C11H18N4O/c1-2-15-8-9(6-14-15)11(16)13-7-10-4-3-5-12-10/h6,8,10,12H,2-5,7H2,1H3,(H,13,16)
InChIKeyMTCXRKKUGHEBQK-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.38
Rot. Bonds4

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

1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 119511592) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID119511592
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCN2)cn1
InChIInChI=1S/C11H18N4O/c1-2-15-8-9(6-14-15)11(16)13-7-10-4-3-5-12-10/h6,8,10,12H,2-5,7H2,1H3,(H,13,16)
InChIKeyMTCXRKKUGHEBQK-UHFFFAOYSA-N
XLogP0.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
CID 99776064
1-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510024
1-(1-ethylpyrazol-4-yl)-2-piperidin-2-ylethanone
CID 79539659
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
CID 79540648
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691
1-(3-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510837
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide (CID 119511592) is 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide is CCn1cc(C(=O)NCC2CCCN2)cn1.
What is the InChIKey of 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is MTCXRKKUGHEBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-8-9(6-14-15)11(16)13-7-10-4-3-5-12-10/h6,8,10,12H,2-5,7H2,1H3,(H,13,16).
What are the key properties of 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119511592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).