4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide

C11H20N4O2 — CID 65359812

IUPAC4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCCC(COC)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O2/c1-4-5-8(7-17-3)14-11(16)10-9(12)6-13-15(10)2/h6,8H,4-5,7,12H2,1-3H3,(H,14,16)
InChIKeyLNVZCBGSJFHSLW-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.55
Rot. Bonds6

About 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide

4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 65359812) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID65359812
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCCCC(COC)NC(=O)c1c(N)cnn1C
InChIInChI=1S/C11H20N4O2/c1-4-5-8(7-17-3)14-11(16)10-9(12)6-13-15(10)2/h6,8H,4-5,7,12H2,1-3H3,(H,14,16)
InChIKeyLNVZCBGSJFHSLW-UHFFFAOYSA-N
XLogP0.55
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
N-cyclohexyl-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084303
N-cyclohexyl-2-methyl-4-nitropyrazole-3-carboxamide
CID 745365
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
(4-Amino-2-methyl-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 739809
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408
4-amino-N,1-dimethyl-1H-pyrazole-3-carboxamide hydrochloride
CID 44630897
4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
CID 65354000
4-amino-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-(2-ethylbutyl)pyrazole-3-carboxamide
CID 137637128
N-(6-methoxyhexyl)-2-methylpyrazole-3-carboxamide
CID 137640519
4-amino-1-ethyl-1H-pyrazole-3-carboxamide
CID 6485352

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide (CID 65359812) is 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide is CCCC(COC)NC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is LNVZCBGSJFHSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-4-5-8(7-17-3)14-11(16)10-9(12)6-13-15(10)2/h6,8H,4-5,7,12H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methoxypentan-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).