3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide

C20H22FN5O2 — CID 129355863

IUPAC3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1
InChIInChI=1S/C20H22FN5O2/c1-25-19(10-18(24-25)14-5-7-15(21)8-6-14)20(27)23-16-11-22-26(12-16)13-17-4-2-3-9-28-17/h5-8,10-12,17H,2-4,9,13H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyQWAVZQUMBLDEDG-KRWDZBQOSA-N
MW383.43 g/mol
LogP3.24
Rot. Bonds5

About 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 129355863) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID129355863
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1
InChIInChI=1S/C20H22FN5O2/c1-25-19(10-18(24-25)14-5-7-15(21)8-6-14)20(27)23-16-11-22-26(12-16)13-17-4-2-3-9-28-17/h5-8,10-12,17H,2-4,9,13H2,1H3,(H,23,27)/t17-/m0/s1
InChIKeyQWAVZQUMBLDEDG-KRWDZBQOSA-N
XLogP3.24
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 90622240
3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355197
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 119099714
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
5-(furan-2-yl)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 129355510

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide (CID 129355863) is 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is QWAVZQUMBLDEDG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-25-19(10-18(24-25)14-5-7-15(21)8-6-14)20(27)23-16-11-22-26(12-16)13-17-4-2-3-9-28-17/h5-8,10-12,17H,2-4,9,13H2,1H3,(H,23,27)/t17-/m0/s1.
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 129355863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).