N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide

C17H17BrClN5O2 — CID 19297661

IUPACN-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCCCn1cc(Br)cn1)c1ccnn1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClN5O2/c18-13-10-22-23(11-13)9-1-7-20-17(25)16-6-8-21-24(16)12-26-15-4-2-14(19)3-5-15/h2-6,8,10-11H,1,7,9,12H2,(H,20,25)
InChIKeyJYMWNCJPAKYVEK-UHFFFAOYSA-N
MW438.71 g/mol
LogP3.35
Rot. Bonds8

About N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide

N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19297661) has the molecular formula C17H17BrClN5O2 and a molecular weight of 438.71 g/mol. Its IUPAC name is N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19297661
Molecular FormulaC17H17BrClN5O2
Molecular Weight438.71 g/mol
Exact Mass437.03
IUPAC NameN-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(NCCCn1cc(Br)cn1)c1ccnn1COc1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClN5O2/c18-13-10-22-23(11-13)9-1-7-20-17(25)16-6-8-21-24(16)12-26-15-4-2-14(19)3-5-15/h2-6,8,10-11H,1,7,9,12H2,(H,20,25)
InChIKeyJYMWNCJPAKYVEK-UHFFFAOYSA-N
XLogP3.35
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromopyrazol-1-yl)propyl]-2-(4-chlorophenoxy)acetamide
CID 19295830
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19507567
2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19507370
2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017629
2-[(4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507483
N-[3-(4-bromopyrazol-1-yl)propyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19297491
N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507416
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19285545
N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19295823
2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19507401

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19297661) is N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(NCCCn1cc(Br)cn1)c1ccnn1COc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is JYMWNCJPAKYVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN5O2/c18-13-10-22-23(11-13)9-1-7-20-17(25)16-6-8-21-24(16)12-26-15-4-2-14(19)3-5-15/h2-6,8,10-11H,1,7,9,12H2,(H,20,25).
What are the key properties of N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 438.71 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromopyrazol-1-yl)propyl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19297661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).