2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride

C19H28Cl2N4O2 — CID 154944128

IUPAC2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride
SMILESCOc1n[nH]c(C)c1-c1ccc(NC(=O)C(N)C2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C19H26N4O2.2ClH/c1-12-16(19(25-2)23-22-12)13-8-10-15(11-9-13)21-18(24)17(20)14-6-4-3-5-7-14;;/h8-11,14,17H,3-7,20H2,1-2H3,(H,21,24)(H,22,23);2*1H
InChIKeyPFFLEJSTCYZBPT-UHFFFAOYSA-N
MW415.37 g/mol
LogP4.08
Rot. Bonds5

About 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride

2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride (PubChem CID 154944128) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride
PubChem CID154944128
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC Name2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride
SMILESCOc1n[nH]c(C)c1-c1ccc(NC(=O)C(N)C2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C19H26N4O2.2ClH/c1-12-16(19(25-2)23-22-12)13-8-10-15(11-9-13)21-18(24)17(20)14-6-4-3-5-7-14;;/h8-11,14,17H,3-7,20H2,1-2H3,(H,21,24)(H,22,23);2*1H
InChIKeyPFFLEJSTCYZBPT-UHFFFAOYSA-N
XLogP4.08
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide
CID 163275805
(2S)-2-amino-2-cyclopentyl-N-[4-(2,4-dimethyl-3-pyridinyl)phenyl]acetamide
CID 175462730
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-cyclopropylpyrazole-3-carboxamide
CID 156779285
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 156904253
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 167148821
(2S)-2-amino-N-[4-[1-benzyl-5-(1-hydroxyethyl)-3-methylpyrazol-4-yl]phenyl]-2-cyclohexylacetamide;hydrochloride
CID 154944167
2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide
CID 154944163
(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide
CID 175462705
2-but-3-en-2-yl-N-[1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazole-3-carboxamide
CID 176668391
N-[(1S)-1-cycloheptyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-[3-(2-methoxyethoxy)propyl]pyrazole-3-carboxamide
CID 177146963
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 175152370
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 146909195

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride (CID 154944128) is 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride is COc1n[nH]c(C)c1-c1ccc(NC(=O)C(N)C2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride?
The InChIKey is PFFLEJSTCYZBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.2ClH/c1-12-16(19(25-2)23-22-12)13-8-10-15(11-9-13)21-18(24)17(20)14-6-4-3-5-7-14;;/h8-11,14,17H,3-7,20H2,1-2H3,(H,21,24)(H,22,23);2*1H.
What are the key properties of 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride?
2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride has a molecular weight of 415.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 154944128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).