3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide

C16H15ClFN5O — CID 19410011

IUPAC3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H15ClFN5O/c17-13-7-19-22(10-13)6-5-16(24)21-15-8-20-23(11-15)9-12-1-3-14(18)4-2-12/h1-4,7-8,10-11H,5-6,9H2,(H,21,24)
InChIKeyYQYKTNREQGVHLD-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.95
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide

3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19410011) has the molecular formula C16H15ClFN5O and a molecular weight of 347.78 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19410011
Molecular FormulaC16H15ClFN5O
Molecular Weight347.78 g/mol
Exact Mass347.09
IUPAC Name3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H15ClFN5O/c17-13-7-19-22(10-13)6-5-16(24)21-15-8-20-23(11-15)9-12-1-3-14(18)4-2-12/h1-4,7-8,10-11H,5-6,9H2,(H,21,24)
InChIKeyYQYKTNREQGVHLD-UHFFFAOYSA-N
XLogP2.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
3-(4-chloropyrazol-1-yl)-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19539553
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19410012
2,5-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 4125276
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342399
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569782
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide (CID 19410011) is 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide is O=C(CCn1cc(Cl)cn1)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is YQYKTNREQGVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O/c17-13-7-19-22(10-13)6-5-16(24)21-15-8-20-23(11-15)9-12-1-3-14(18)4-2-12/h1-4,7-8,10-11H,5-6,9H2,(H,21,24).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide?
3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 347.78 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).