3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide

C10H15FN4O — CID 126768846

IUPAC3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(F)CCN(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C10H15FN4O/c1-10(11)3-5-15(7-10)9(16)12-6-8-2-4-13-14-8/h2,4H,3,5-7H2,1H3,(H,12,16)(H,13,14)
InChIKeyVEMWSMPTJALQFF-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.05
Rot. Bonds2

About 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide

3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126768846) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID126768846
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC1(F)CCN(C(=O)NCc2ccn[nH]2)C1
InChIInChI=1S/C10H15FN4O/c1-10(11)3-5-15(7-10)9(16)12-6-8-2-4-13-14-8/h2,4H,3,5-7H2,1H3,(H,12,16)(H,13,14)
InChIKeyVEMWSMPTJALQFF-UHFFFAOYSA-N
XLogP1.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide (CID 126768846) is 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide is CC1(F)CCN(C(=O)NCc2ccn[nH]2)C1.
What is the InChIKey of 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is VEMWSMPTJALQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-10(11)3-5-15(7-10)9(16)12-6-8-2-4-13-14-8/h2,4H,3,5-7H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide?
3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126768846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).