N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide

C11H18N4O2 — CID 114255131

IUPACN-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NCC(N)C2CC2)nn1C
InChIInChI=1S/C11H18N4O2/c1-15-10(17-2)5-9(14-15)11(16)13-6-8(12)7-3-4-7/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeyKJLMZJKQTOGHGY-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.10
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide

N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide (PubChem CID 114255131) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
PubChem CID114255131
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)NCC(N)C2CC2)nn1C
InChIInChI=1S/C11H18N4O2/c1-15-10(17-2)5-9(14-15)11(16)13-6-8(12)7-3-4-7/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeyKJLMZJKQTOGHGY-UHFFFAOYSA-N
XLogP-0.10
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-5-methoxy-1-methylpyrazole-3-carboxamide
CID 130497434
N-(5-amino-5-sulfanylidenepentyl)-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255059
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
[3-(1-aminoethyl)pyrrolidin-1-yl]-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 114255135
N-[4-(chloromethyl)phenyl]-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114255172
3-[(5-methoxy-1-methylpyrazole-3-carbonyl)amino]pentanoic acid
CID 114255017
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115301074
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide
CID 114255127
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide (CID 114255131) is N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide is COc1cc(C(=O)NCC(N)C2CC2)nn1C.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
The InChIKey is KJLMZJKQTOGHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-10(17-2)5-9(14-15)11(16)13-6-8(12)7-3-4-7/h5,7-8H,3-4,6,12H2,1-2H3,(H,13,16).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide?
N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-5-methoxy-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 114255131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).