N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

C9H14N4O2 — CID 43594180

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H14N4O2/c1-15-8-5-10-4-7(8)13-9(14)6-2-11-12-3-6/h2-3,7-8,10H,4-5H2,1H3,(H,11,12)(H,13,14)/t7?,8-/m0/s1
InChIKeyOZAVMASIMIQOIU-MQWKRIRWSA-N
MW210.24 g/mol
LogP-0.87
Rot. Bonds3

About N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide

N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 43594180) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID43594180
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cn[nH]c1
InChIInChI=1S/C9H14N4O2/c1-15-8-5-10-4-7(8)13-9(14)6-2-11-12-3-6/h2-3,7-8,10H,4-5H2,1H3,(H,11,12)(H,13,14)/t7?,8-/m0/s1
InChIKeyOZAVMASIMIQOIU-MQWKRIRWSA-N
XLogP-0.87
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide (CID 43594180) is N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is CO[C@H]1CNCC1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is OZAVMASIMIQOIU-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-15-8-5-10-4-7(8)13-9(14)6-2-11-12-3-6/h2-3,7-8,10H,4-5H2,1H3,(H,11,12)(H,13,14)/t7?,8-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43594180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).