1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C18H18ClN5O2 — CID 95749219

IUPAC1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccn(COc2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN5O2/c19-14-2-1-3-16(8-14)26-12-23-7-6-17(22-23)18(25)21-15-9-20-24(11-15)10-13-4-5-13/h1-3,6-9,11,13H,4-5,10,12H2,(H,21,25)
InChIKeyYUHOGNKSYASZJN-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.43
Rot. Bonds7

About 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide

1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 95749219) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID95749219
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccn(COc2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN5O2/c19-14-2-1-3-16(8-14)26-12-23-7-6-17(22-23)18(25)21-15-9-20-24(11-15)10-13-4-5-13/h1-3,6-9,11,13H,4-5,10,12H2,(H,21,25)
InChIKeyYUHOGNKSYASZJN-UHFFFAOYSA-N
XLogP3.43
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275470
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19410555
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274591
2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide
CID 110280822
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19275405
1-[(2-chlorophenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265254
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269992
1-[(3-chlorophenoxy)methyl]-N-(3-methoxypropyl)pyrazole-3-carboxamide
CID 19276667
1-[(3-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19276484
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 91948555
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-1-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280381
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 19281175

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 95749219) is 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is O=C(Nc1cnn(CC2CC2)c1)c1ccn(COc2cccc(Cl)c2)n1.
What is the InChIKey of 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is YUHOGNKSYASZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-14-2-1-3-16(8-14)26-12-23-7-6-17(22-23)18(25)21-15-9-20-24(11-15)10-13-4-5-13/h1-3,6-9,11,13H,4-5,10,12H2,(H,21,25).
What are the key properties of 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?
1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 95749219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).