4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide

C12H21N5O2 — CID 65355029

IUPAC4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N5O2/c1-4-17(5-2)10(18)6-7-14-12(19)11-9(13)8-16(3)15-11/h8H,4-7,13H2,1-3H3,(H,14,19)
InChIKeyBVPOKLDSODWPQW-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.01
Rot. Bonds6

About 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide

4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide (PubChem CID 65355029) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
PubChem CID65355029
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1nn(C)cc1N
InChIInChI=1S/C12H21N5O2/c1-4-17(5-2)10(18)6-7-14-12(19)11-9(13)8-16(3)15-11/h8H,4-7,13H2,1-3H3,(H,14,19)
InChIKeyBVPOKLDSODWPQW-UHFFFAOYSA-N
XLogP-0.01
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-ethoxyethyl)-1-methylpyrazole-3-carboxamide
CID 65354874
4-amino-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 65355148
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 65354392
4-amino-N-but-3-ynyl-1-methylpyrazole-3-carboxamide
CID 65355592
ethyl 2-[(4-amino-1-methylpyrazole-3-carbonyl)amino]acetate
CID 65355222
4-amino-1-methyl-N-(3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 65355442
4-amino-N-[(E)-but-2-enyl]-1-methylpyrazole-3-carboxamide
CID 131241275
4-amino-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 19620372
4-amino-1-methyl-N-pentan-3-ylpyrazole-3-carboxamide
CID 65355253
4-amino-N-(2,2-difluoroethyl)-1-methylpyrazole-3-carboxamide
CID 115405230
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-1-methylpyrazole-3-carboxamide
CID 65354139

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide (CID 65355029) is 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide is CCN(CC)C(=O)CCNC(=O)c1nn(C)cc1N.
What is the InChIKey of 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is BVPOKLDSODWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-17(5-2)10(18)6-7-14-12(19)11-9(13)8-16(3)15-11/h8H,4-7,13H2,1-3H3,(H,14,19).
What are the key properties of 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide?
4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)-3-oxopropyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).