1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

C17H23N5O — CID 129006330

IUPAC1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1
InChIInChI=1S/C17H23N5O/c1-3-22-12-15(11-20-22)17(23)19-10-14-6-8-21(2)16(14)13-5-4-7-18-9-13/h4-5,7,9,11-12,14,16H,3,6,8,10H2,1-2H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyAXVSWHZKCSDEFZ-HOCLYGCPSA-N
MW313.41 g/mol
LogP1.72
Rot. Bonds5

About 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 129006330) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID129006330
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1
InChIInChI=1S/C17H23N5O/c1-3-22-12-15(11-20-22)17(23)19-10-14-6-8-21(2)16(14)13-5-4-7-18-9-13/h4-5,7,9,11-12,14,16H,3,6,8,10H2,1-2H3,(H,19,23)/t14-,16-/m0/s1
InChIKeyAXVSWHZKCSDEFZ-HOCLYGCPSA-N
XLogP1.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128968305
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide
CID 128992440
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 128993122
1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128974623
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129006334
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 129006335
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 128998866
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 128968522
6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 128991830
2-(cyclopropylmethoxy)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 128970530

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide (CID 129006330) is 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1.
What is the InChIKey of 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is AXVSWHZKCSDEFZ-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-22-12-15(11-20-22)17(23)19-10-14-6-8-21(2)16(14)13-5-4-7-18-9-13/h4-5,7,9,11-12,14,16H,3,6,8,10H2,1-2H3,(H,19,23)/t14-,16-/m0/s1.
What are the key properties of 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 129006330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).