2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

C14H24N4O2 — CID 70740924

IUPAC2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H24N4O2/c1-9-11(10(2)18-17-9)12(15)13(19)16-8-14(20)6-4-3-5-7-14/h12,20H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVOFUZRILGVPKII-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.84
Rot. Bonds4

About 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide

2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 70740924) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID70740924
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESCc1n[nH]c(C)c1C(N)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C14H24N4O2/c1-9-11(10(2)18-17-9)12(15)13(19)16-8-14(20)6-4-3-5-7-14/h12,20H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVOFUZRILGVPKII-UHFFFAOYSA-N
XLogP0.84
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(3-hydroxycyclobutyl)propyl]acetamide
CID 100098334
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 124293262
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 53013678
2-(3,5-Dimethyl-1H-pyrazol-4-YL)-N-[1-(3-hydroxycyclobutyl)propyl]acetamide
CID 91783729
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170159
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
CID 43170844
5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid
CID 43171956
1-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172032
7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid
CID 43172056
6-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]hexanoic acid
CID 43352916
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354032

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 70740924) is 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is Cc1n[nH]c(C)c1C(N)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is VOFUZRILGVPKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-11(10(2)18-17-9)12(15)13(19)16-8-14(20)6-4-3-5-7-14/h12,20H,3-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 70740924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).