1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide

C14H20FN5O3 — CID 175915218

IUPAC1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
SMILESC=C(F)C(=O)N1C[C@@H](n2ncc(C(N)=O)c2NC)C[C@@H]1COC
InChIInChI=1S/C14H20FN5O3/c1-8(15)14(22)19-6-9(4-10(19)7-23-3)20-13(17-2)11(5-18-20)12(16)21/h5,9-10,17H,1,4,6-7H2,2-3H3,(H2,16,21)/t9-,10+/m0/s1
InChIKeyBISHUUBYCMPLRO-VHSXEESVSA-N
MW325.34 g/mol
LogP0.30
Rot. Bonds6

About 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide

1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide (PubChem CID 175915218) has the molecular formula C14H20FN5O3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
PubChem CID175915218
Molecular FormulaC14H20FN5O3
Molecular Weight325.34 g/mol
Exact Mass325.16
IUPAC Name1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide
SMILESC=C(F)C(=O)N1C[C@@H](n2ncc(C(N)=O)c2NC)C[C@@H]1COC
InChIInChI=1S/C14H20FN5O3/c1-8(15)14(22)19-6-9(4-10(19)7-23-3)20-13(17-2)11(5-18-20)12(16)21/h5,9-10,17H,1,4,6-7H2,2-3H3,(H2,16,21)/t9-,10+/m0/s1
InChIKeyBISHUUBYCMPLRO-VHSXEESVSA-N
XLogP0.30
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?
The IUPAC name of 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide (CID 175915218) is 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide is C=C(F)C(=O)N1C[C@@H](n2ncc(C(N)=O)c2NC)C[C@@H]1COC.
What is the InChIKey of 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?
The InChIKey is BISHUUBYCMPLRO-VHSXEESVSA-N. The full InChI is InChI=1S/C14H20FN5O3/c1-8(15)14(22)19-6-9(4-10(19)7-23-3)20-13(17-2)11(5-18-20)12(16)21/h5,9-10,17H,1,4,6-7H2,2-3H3,(H2,16,21)/t9-,10+/m0/s1.
What are the key properties of 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide?
1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-1-(2-fluoroprop-2-enoyl)-5-(methoxymethyl)pyrrolidin-3-yl]-5-(methylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 175915218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).