(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

C10H16N4O — CID 124679564

IUPAC(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1c([C@@H]2CNC[C@H]2C(N)=O)cnn1C
InChIInChI=1S/C10H16N4O/c1-6-7(5-13-14(6)2)8-3-12-4-9(8)10(11)15/h5,8-9,12H,3-4H2,1-2H3,(H2,11,15)/t8-,9+/m0/s1
InChIKeyRVSSCNUDARFCGB-DTWKUNHWSA-N
MW208.26 g/mol
LogP-0.48
Rot. Bonds2

About (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 124679564) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID124679564
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCc1c([C@@H]2CNC[C@H]2C(N)=O)cnn1C
InChIInChI=1S/C10H16N4O/c1-6-7(5-13-14(6)2)8-3-12-4-9(8)10(11)15/h5,8-9,12H,3-4H2,1-2H3,(H2,11,15)/t8-,9+/m0/s1
InChIKeyRVSSCNUDARFCGB-DTWKUNHWSA-N
XLogP-0.48
TPSA72.94 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 ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 124679564) is (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is Cc1c([C@@H]2CNC[C@H]2C(N)=O)cnn1C.
What is the InChIKey of (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is RVSSCNUDARFCGB-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-7(5-13-14(6)2)8-3-12-4-9(8)10(11)15/h5,8-9,12H,3-4H2,1-2H3,(H2,11,15)/t8-,9+/m0/s1.
What are the key properties of (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(1,5-dimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124679564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).