(3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H13F3N4O — CID 120963443

IUPAC(3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C10H13F3N4O/c1-17-4-7(8(5-17)10(11,12)13)9(18)16-6-2-14-15-3-6/h2-3,7-8H,4-5H2,1H3,(H,14,15)(H,16,18)/t7-,8-/m1/s1
InChIKeyQUHWOJFMHYKTBV-HTQZYQBOSA-N
MW262.23 g/mol
LogP1.09
Rot. Bonds2

About (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963443) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963443
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name(3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C10H13F3N4O/c1-17-4-7(8(5-17)10(11,12)13)9(18)16-6-2-14-15-3-6/h2-3,7-8H,4-5H2,1H3,(H,14,15)(H,16,18)/t7-,8-/m1/s1
InChIKeyQUHWOJFMHYKTBV-HTQZYQBOSA-N
XLogP1.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963443) is (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CN1C[C@@H](C(F)(F)F)[C@H](C(=O)Nc2cn[nH]c2)C1.
What is the InChIKey of (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QUHWOJFMHYKTBV-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-17-4-7(8(5-17)10(11,12)13)9(18)16-6-2-14-15-3-6/h2-3,7-8H,4-5H2,1H3,(H,14,15)(H,16,18)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-methyl-N-(1H-pyrazol-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).