N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

C19H25N3O3 — CID 70784635

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(C)CC3(CO)CCCC3)[nH]n2)c1
InChIInChI=1S/C19H25N3O3/c1-22(12-19(13-23)8-3-4-9-19)18(24)17-11-16(20-21-17)14-6-5-7-15(10-14)25-2/h5-7,10-11,23H,3-4,8-9,12-13H2,1-2H3,(H,20,21)
InChIKeyQDFPMNIKBOAAIO-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.71
Rot. Bonds6

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 70784635) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID70784635
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(C)CC3(CO)CCCC3)[nH]n2)c1
InChIInChI=1S/C19H25N3O3/c1-22(12-19(13-23)8-3-4-9-19)18(24)17-11-16(20-21-17)14-6-5-7-15(10-14)25-2/h5-7,10-11,23H,3-4,8-9,12-13H2,1-2H3,(H,20,21)
InChIKeyQDFPMNIKBOAAIO-UHFFFAOYSA-N
XLogP2.71
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515494
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-(3-methoxyphenyl)-N-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 97115651
N-ethyl-3-(3-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760439
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70770906
(4-aminopiperidin-1-yl)-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 66485063
N-[4-(1,3-benzodioxol-5-yloxy)but-2-ynyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90576097
N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509714

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 70784635) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)N(C)CC3(CO)CCCC3)[nH]n2)c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is QDFPMNIKBOAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22(12-19(13-23)8-3-4-9-19)18(24)17-11-16(20-21-17)14-6-5-7-15(10-14)25-2/h5-7,10-11,23H,3-4,8-9,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70784635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).