N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide

C19H26FN5O — CID 52986556

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)C2CNNC2c2ccc(F)cc2)n1
InChIInChI=1S/C19H26FN5O/c1-12(11-25-14(3)8-13(2)24-25)9-21-19(26)17-10-22-23-18(17)15-4-6-16(20)7-5-15/h4-8,12,17-18,22-23H,9-11H2,1-3H3,(H,21,26)
InChIKeyYTEVFQRKPGJGGN-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.86
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide (PubChem CID 52986556) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
PubChem CID52986556
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)C2CNNC2c2ccc(F)cc2)n1
InChIInChI=1S/C19H26FN5O/c1-12(11-25-14(3)8-13(2)24-25)9-21-19(26)17-10-22-23-18(17)15-4-6-16(20)7-5-15/h4-8,12,17-18,22-23H,9-11H2,1-3H3,(H,21,26)
InChIKeyYTEVFQRKPGJGGN-UHFFFAOYSA-N
XLogP1.86
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide
CID 134046006
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,4-difluorobenzamide
CID 47042487
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55744895
3-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]pyrazolidine-4-carboxamide
CID 73277683
3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide
CID 134067181
1-benzylsulfonyl-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]piperidine-4-carboxamide
CID 55783485
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrazolidine-4-carboxamide
CID 134056955
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-(2-methylphenyl)acetamide
CID 94181374
1-[(2,5-difluorophenyl)methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylguanidine
CID 111901447
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide (CID 52986556) is N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)C2CNNC2c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The InChIKey is YTEVFQRKPGJGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-12(11-25-14(3)8-13(2)24-25)9-21-19(26)17-10-22-23-18(17)15-4-6-16(20)7-5-15/h4-8,12,17-18,22-23H,9-11H2,1-3H3,(H,21,26).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 52986556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).