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

C10H16N4O2 — CID 43594183

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cnn(C)c1
InChIInChI=1S/C10H16N4O2/c1-14-6-7(3-12-14)10(15)13-8-4-11-5-9(8)16-2/h3,6,8-9,11H,4-5H2,1-2H3,(H,13,15)/t8?,9-/m0/s1
InChIKeyYSXYWYGEAIMTOO-GKAPJAKFSA-N
MW224.26 g/mol
LogP-0.86
Rot. Bonds3

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

N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 43594183) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID43594183
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCO[C@H]1CNCC1NC(=O)c1cnn(C)c1
InChIInChI=1S/C10H16N4O2/c1-14-6-7(3-12-14)10(15)13-8-4-11-5-9(8)16-2/h3,6,8-9,11H,4-5H2,1-2H3,(H,13,15)/t8?,9-/m0/s1
InChIKeyYSXYWYGEAIMTOO-GKAPJAKFSA-N
XLogP-0.86
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxypyrrolidin-3-yl)-1H-pyrazole-4-carboxamide
CID 74883497
1-methyl-N-(4-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 63326138
N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
1-cyclopentyl-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]-5-methylpyrazole-4-carboxamide
CID 99852379
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 76982257
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylbenzamide
CID 113304909
6-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 115354184
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-(4-methoxypyrrolidin-3-yl)quinoline-6-carboxamide
CID 76975241
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
CID 154910821
5-chloro-N-(4-methoxypyrrolidin-3-yl)furan-2-carboxamide
CID 74883276
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 43594183) is N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide is CO[C@H]1CNCC1NC(=O)c1cnn(C)c1.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is YSXYWYGEAIMTOO-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14-6-7(3-12-14)10(15)13-8-4-11-5-9(8)16-2/h3,6,8-9,11H,4-5H2,1-2H3,(H,13,15)/t8?,9-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide?
N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 43594183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).