N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide

C10H14ClN3O — CID 114757910

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccn[nH]1
InChIInChI=1S/C10H14ClN3O/c11-5-4-10(2-3-10)7-12-9(15)8-1-6-13-14-8/h1,6H,2-5,7H2,(H,12,15)(H,13,14)
InChIKeyDHPJMTCQEYLAMY-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.55
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 114757910) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID114757910
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccn[nH]1
InChIInChI=1S/C10H14ClN3O/c11-5-4-10(2-3-10)7-12-9(15)8-1-6-13-14-8/h1,6H,2-5,7H2,(H,12,15)(H,13,14)
InChIKeyDHPJMTCQEYLAMY-UHFFFAOYSA-N
XLogP1.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 65119924
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 114758192
N-[[1-(2,6-difluorophenyl)cyclobutyl]methyl]-1H-pyrazole-5-carboxamide
CID 166236928
N-[[4-(chloromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 107233397
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102694095
N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
CID 106117591
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(2-chloroethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 114758169
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-(4-chlorobutan-2-yl)-1H-pyrazole-5-carboxamide
CID 83179850
N-[1-(bromomethyl)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 114314078

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide (CID 114757910) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCC1(CCCl)CC1)c1ccn[nH]1.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DHPJMTCQEYLAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-5-4-10(2-3-10)7-12-9(15)8-1-6-13-14-8/h1,6H,2-5,7H2,(H,12,15)(H,13,14).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 227.69 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 114757910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).