(2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride

C15H27ClN4O — CID 154914957

IUPAC(2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride
SMILESCCCn1ncc(C)c1NC(=O)[C@@H](N)C1CCCCC1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-3-9-19-14(11(2)10-17-19)18-15(20)13(16)12-7-5-4-6-8-12;/h10,12-13H,3-9,16H2,1-2H3,(H,18,20);1H/t13-;/m0./s1
InChIKeyCTCSRBCCRKPQFP-ZOWNYOTGSA-N
MW314.86 g/mol
LogP2.87
Rot. Bonds5

About (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride

(2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride (PubChem CID 154914957) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride
PubChem CID154914957
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride
SMILESCCCn1ncc(C)c1NC(=O)[C@@H](N)C1CCCCC1.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-3-9-19-14(11(2)10-17-19)18-15(20)13(16)12-7-5-4-6-8-12;/h10,12-13H,3-9,16H2,1-2H3,(H,18,20);1H/t13-;/m0./s1
InChIKeyCTCSRBCCRKPQFP-ZOWNYOTGSA-N
XLogP2.87
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-4-methyl-1H-pyrazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 46988576
2-cyclobutyl-N-[[5-[(2-cyclobutylacetyl)amino]-1-methylpyrazol-4-yl]methyl]acetamide
CID 71921233
(2S)-2-[(2-cyclohexylacetyl)amino]-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 97560510
(2S)-N-(1-ethyl-4-methylpyrazol-5-yl)-1-methylazepane-2-carboxamide
CID 164639224
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929420
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929421
N-(4-amino-1-methylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930388
N-(4-amino-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81930406
N-(4-amino-1-methylpyrazol-5-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81930426
N-(4-cyano-1-methylpyrazol-5-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931378
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931419
N-(4-cyano-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81931561

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride (CID 154914957) is (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride is CCCn1ncc(C)c1NC(=O)[C@@H](N)C1CCCCC1.Cl.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride?
The InChIKey is CTCSRBCCRKPQFP-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H26N4O.ClH/c1-3-9-19-14(11(2)10-17-19)18-15(20)13(16)12-7-5-4-6-8-12;/h10,12-13H,3-9,16H2,1-2H3,(H,18,20);1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride?
(2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-(4-methyl-1-propylpyrazol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 154914957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).