N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide

C16H26N4O2 — CID 122148886

IUPACN-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)(C)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-11-13(10-18-20-11)14(21)19-16(2,3)15(22)17-9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyRFFGVDHHUDIZHK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.92
Rot. Bonds5

About N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide

N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 122148886) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID122148886
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)(C)C(=O)NCC1CCCCC1
InChIInChI=1S/C16H26N4O2/c1-11-13(10-18-20-11)14(21)19-16(2,3)15(22)17-9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyRFFGVDHHUDIZHK-UHFFFAOYSA-N
XLogP1.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide (CID 122148886) is N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC(C)(C)C(=O)NCC1CCCCC1.
What is the InChIKey of N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is RFFGVDHHUDIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-13(10-18-20-11)14(21)19-16(2,3)15(22)17-9-12-7-5-4-6-8-12/h10,12H,4-9H2,1-3H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethylamino)-2-methyl-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 122148886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).