4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide

C12H22N4O2 — CID 65357016

IUPAC4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(N)cnn1CC)C(C)COC
InChIInChI=1S/C12H22N4O2/c1-5-15(9(3)8-18-4)12(17)11-10(13)7-14-16(11)6-2/h7,9H,5-6,8,13H2,1-4H3
InChIKeyFFILKYHGIRCFAY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.98
Rot. Bonds6

About 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide

4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide (PubChem CID 65357016) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide
PubChem CID65357016
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(N)cnn1CC)C(C)COC
InChIInChI=1S/C12H22N4O2/c1-5-15(9(3)8-18-4)12(17)11-10(13)7-14-16(11)6-2/h7,9H,5-6,8,13H2,1-4H3
InChIKeyFFILKYHGIRCFAY-UHFFFAOYSA-N
XLogP0.98
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide (CID 65357016) is 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide is CCN(C(=O)c1c(N)cnn1CC)C(C)COC.
What is the InChIKey of 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide?
The InChIKey is FFILKYHGIRCFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-5-15(9(3)8-18-4)12(17)11-10(13)7-14-16(11)6-2/h7,9H,5-6,8,13H2,1-4H3.
What are the key properties of 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide?
4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,1-diethyl-N-(1-methoxypropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 65357016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).