(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C10H16N4O — CID 119031227

IUPAC(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C10H16N4O/c1-11-10(15)9-5-12-4-8(9)7-3-13-14(2)6-7/h3,6,8-9,12H,4-5H2,1-2H3,(H,11,15)/t8-,9+/m1/s1
InChIKeyNWQNWBGNKHNAGL-BDAKNGLRSA-N
MW208.26 g/mol
LogP-0.53
Rot. Bonds2

About (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 119031227) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID119031227
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C10H16N4O/c1-11-10(15)9-5-12-4-8(9)7-3-13-14(2)6-7/h3,6,8-9,12H,4-5H2,1-2H3,(H,11,15)/t8-,9+/m1/s1
InChIKeyNWQNWBGNKHNAGL-BDAKNGLRSA-N
XLogP-0.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 119031227) is (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CNC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.
What is the InChIKey of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is NWQNWBGNKHNAGL-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16N4O/c1-11-10(15)9-5-12-4-8(9)7-3-13-14(2)6-7/h3,6,8-9,12H,4-5H2,1-2H3,(H,11,15)/t8-,9+/m1/s1.
What are the key properties of (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119031227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).