(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide

C14H24N4O2 — CID 155498362

IUPAC(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2cn(C)nc2C)C[C@H]1N
InChIInChI=1S/C14H24N4O2/c1-9-11(8-18(2)17-9)7-16-14(19)10-4-5-13(20-3)12(15)6-10/h8,10,12-13H,4-7,15H2,1-3H3,(H,16,19)/t10-,12+,13+/m0/s1
InChIKeyCVRYOEUPIYGNMG-CYZMBNFOSA-N
MW280.37 g/mol
LogP0.49
Rot. Bonds4

About (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide

(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 155498362) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID155498362
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2cn(C)nc2C)C[C@H]1N
InChIInChI=1S/C14H24N4O2/c1-9-11(8-18(2)17-9)7-16-14(19)10-4-5-13(20-3)12(15)6-10/h8,10,12-13H,4-7,15H2,1-3H3,(H,16,19)/t10-,12+,13+/m0/s1
InChIKeyCVRYOEUPIYGNMG-CYZMBNFOSA-N
XLogP0.49
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3R,4R)-3-amino-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940977
(1S,3R,4R)-3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155496425
(1S,3S,4S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(methanesulfonamido)-3-propoxycyclohexane-1-carboxamide
CID 162632069
N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 112669514
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 112669577
(1R,2S,3S,4R)-3-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124717628
(1S,3R,4R)-3-amino-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940425
(2R,5S)-5-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945620
(1S,3R,4R)-3-amino-4-methoxy-N-(3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide
CID 155508081
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 56880438
1-(cyclohexylmethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817829

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide (CID 155498362) is (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide is CO[C@@H]1CC[C@H](C(=O)NCc2cn(C)nc2C)C[C@H]1N.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is CVRYOEUPIYGNMG-CYZMBNFOSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-11(8-18(2)17-9)7-16-14(19)10-4-5-13(20-3)12(15)6-10/h8,10,12-13H,4-7,15H2,1-3H3,(H,16,19)/t10-,12+,13+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide?
(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 155498362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).