N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide

C10H11BrClN5O — CID 19295823

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1cc(Br)cn1)c1[nH]ncc1Cl
InChIInChI=1S/C10H11BrClN5O/c11-7-4-15-17(6-7)3-1-2-13-10(18)9-8(12)5-14-16-9/h4-6H,1-3H2,(H,13,18)(H,14,16)
InChIKeyXDLXNNLQTMJBTJ-UHFFFAOYSA-N
MW332.59 g/mol
LogP1.84
Rot. Bonds5

About N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide

N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide (PubChem CID 19295823) has the molecular formula C10H11BrClN5O and a molecular weight of 332.59 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
PubChem CID19295823
Molecular FormulaC10H11BrClN5O
Molecular Weight332.59 g/mol
Exact Mass330.98
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1cc(Br)cn1)c1[nH]ncc1Cl
InChIInChI=1S/C10H11BrClN5O/c11-7-4-15-17(6-7)3-1-2-13-10(18)9-8(12)5-14-16-9/h4-6H,1-3H2,(H,13,18)(H,14,16)
InChIKeyXDLXNNLQTMJBTJ-UHFFFAOYSA-N
XLogP1.84
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19479469
N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479985
4-chloro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19574664
2-(4-bromopyrazol-1-yl)-N-[3-(4-bromopyrazol-1-yl)propyl]acetamide
CID 19297618
4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19283381
4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 19479455
1-[3-(4-bromopyrazol-1-yl)propyl]-3-butylurea
CID 19334000
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19297661
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 19323932
N-[3-(4-bromopyrazol-1-yl)propyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 4769951
N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
CID 19295830
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19333073

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide (CID 19295823) is N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide is O=C(NCCCn1cc(Br)cn1)c1[nH]ncc1Cl.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide?
The InChIKey is XDLXNNLQTMJBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN5O/c11-7-4-15-17(6-7)3-1-2-13-10(18)9-8(12)5-14-16-9/h4-6H,1-3H2,(H,13,18)(H,14,16).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide has a molecular weight of 332.59 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19295823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).