1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide

C12H20N4O — CID 99776064

IUPAC1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C12H20N4O/c1-2-16-9-10(7-15-16)12(17)14-8-11-5-3-4-6-13-11/h7,9,11,13H,2-6,8H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyZWKGHNKTBFDAEN-NSHDSACASA-N
MW236.32 g/mol
LogP0.77
Rot. Bonds4

About 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 99776064) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID99776064
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@@H]2CCCCN2)cn1
InChIInChI=1S/C12H20N4O/c1-2-16-9-10(7-15-16)12(17)14-8-11-5-3-4-6-13-11/h7,9,11,13H,2-6,8H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyZWKGHNKTBFDAEN-NSHDSACASA-N
XLogP0.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511592
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-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510024
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
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
cyclooctyl-(1-ethylpyrazol-4-yl)methanone
CID 80602225
1-ethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 19281043
1-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119514691

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide (CID 99776064) is 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC[C@@H]2CCCCN2)cn1.
What is the InChIKey of 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is ZWKGHNKTBFDAEN-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16-9-10(7-15-16)12(17)14-8-11-5-3-4-6-13-11/h7,9,11,13H,2-6,8H2,1H3,(H,14,17)/t11-/m0/s1.
What are the key properties of 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 99776064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).