N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide

C12H16ClN5O2 — CID 19270945

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)NCCCn2cc(Cl)cn2)n1
InChIInChI=1S/C12H16ClN5O2/c1-20-9-18-6-3-11(16-18)12(19)14-4-2-5-17-8-10(13)7-15-17/h3,6-8H,2,4-5,9H2,1H3,(H,14,19)
InChIKeyQZEJSEZGVMWQPG-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.16
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide

N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide (PubChem CID 19270945) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
PubChem CID19270945
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)NCCCn2cc(Cl)cn2)n1
InChIInChI=1S/C12H16ClN5O2/c1-20-9-18-6-3-11(16-18)12(19)14-4-2-5-17-8-10(13)7-15-17/h3,6-8H,2,4-5,9H2,1H3,(H,14,19)
InChIKeyQZEJSEZGVMWQPG-UHFFFAOYSA-N
XLogP1.16
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.16
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-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
2-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623408
N-[3-(4-chloropyrazol-1-yl)propyl]-1-methylimidazole-4-carboxamide
CID 118781993
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
1-[(4-bromophenoxy)methyl]-N-[3-(4-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19328139
1-(methoxymethyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19270984
N-[3-(4-chloropyrazol-1-yl)propyl]-2,3-dimethoxybenzamide
CID 4777497
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19328190
1-(methoxymethyl)-N-prop-2-enylpyrazole-3-carboxamide
CID 19270743
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide (CID 19270945) is N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide is COCn1ccc(C(=O)NCCCn2cc(Cl)cn2)n1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The InChIKey is QZEJSEZGVMWQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O2/c1-20-9-18-6-3-11(16-18)12(19)14-4-2-5-17-8-10(13)7-15-17/h3,6-8H,2,4-5,9H2,1H3,(H,14,19).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-1-(methoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19270945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).