(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone

C10H7Cl2N3O — CID 14674018

IUPAC(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-5-1-2-8(12)6(3-5)9(16)7-4-14-15-10(7)13/h1-4H,(H3,13,14,15)
InChIKeySVOOLNQKESEMFC-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.53
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone

(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone (PubChem CID 14674018) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone
PubChem CID14674018
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone
SMILESNc1[nH]ncc1C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H7Cl2N3O/c11-5-1-2-8(12)6(3-5)9(16)7-4-14-15-10(7)13/h1-4H,(H3,13,14,15)
InChIKeySVOOLNQKESEMFC-UHFFFAOYSA-N
XLogP2.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Amino-1H-pyrazol-4-YL)(phenyl)methanone
CID 9877571
(5-amino-1H-pyrazol-4-yl)-(4-chlorophenyl)methanone
CID 10680524
(5-amino-1H-pyrazol-4-yl)-(4-methylphenyl)methanone
CID 14674004
4-(4-chlorobenzoyl)-1H-pyrazole hydrochloride
CID 137951785
(3-Amino-1H-pyrazol-4-yl)(4-fluorophenyl)methanone
CID 14674001
(3-Amino-1H-pyrazol-4-yl)(3-fluorophenyl)methanone
CID 14674006
(5-amino-1H-pyrazol-4-yl)-(2-fluorophenyl)methanone
CID 14674014
5-Chloro-4-(o-chlorobenzoyl)pyrazole
CID 129791479
4'-(3-Amino-4-pyrazolyl)-2,2,2-trichloroacetophenone
CID 24832563
(5-amino-1H-pyrazol-4-yl)-(3,5-difluorophenyl)methanone
CID 65360116
1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone
CID 65360173
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 65360274

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone (CID 14674018) is (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone is Nc1[nH]ncc1C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone?
The InChIKey is SVOOLNQKESEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c11-5-1-2-8(12)6(3-5)9(16)7-4-14-15-10(7)13/h1-4H,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone?
(5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone has a molecular weight of 256.09 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 14674018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).