2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C14H14Cl2N4O — CID 71881007

IUPAC2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccn(Cc3ccccn3)n2)CC1(Cl)Cl
InChIInChI=1S/C14H14Cl2N4O/c1-13(9-14(13,15)16)12(21)18-11-5-7-20(19-11)8-10-4-2-3-6-17-10/h2-7H,8-9H2,1H3,(H,18,19,21)
InChIKeyZPGPAKLNFDKCIA-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.85
Rot. Bonds4

About 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide

2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 71881007) has the molecular formula C14H14Cl2N4O and a molecular weight of 325.20 g/mol. Its IUPAC name is 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID71881007
Molecular FormulaC14H14Cl2N4O
Molecular Weight325.20 g/mol
Exact Mass324.05
IUPAC Name2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2ccn(Cc3ccccn3)n2)CC1(Cl)Cl
InChIInChI=1S/C14H14Cl2N4O/c1-13(9-14(13,15)16)12(21)18-11-5-7-20(19-11)8-10-4-2-3-6-17-10/h2-7H,8-9H2,1H3,(H,18,19,21)
InChIKeyZPGPAKLNFDKCIA-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 95899176
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
5-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089643
(3S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94811681
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
1-[2-(4-hydroxyphenyl)ethyl]-3-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
CID 166181805
6-chloro-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]quinoline-8-carboxamide
CID 47089636
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
4-methoxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 161037055

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 71881007) is 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide is CC1(C(=O)Nc2ccn(Cc3ccccn3)n2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ZPGPAKLNFDKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O/c1-13(9-14(13,15)16)12(21)18-11-5-7-20(19-11)8-10-4-2-3-6-17-10/h2-7H,8-9H2,1H3,(H,18,19,21).
What are the key properties of 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71881007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).