3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide

C11H19N5O2 — CID 64525021

IUPAC3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-3-16(4-2)10(17)5-6-13-11(18)8-7-9(12)15-14-8/h7H,3-6H2,1-2H3,(H,13,18)(H3,12,14,15)
InChIKeyGOMGMLAQYJFWAC-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.02
Rot. Bonds6

About 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide (PubChem CID 64525021) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
PubChem CID64525021
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-3-16(4-2)10(17)5-6-13-11(18)8-7-9(12)15-14-8/h7H,3-6H2,1-2H3,(H,13,18)(H3,12,14,15)
InChIKeyGOMGMLAQYJFWAC-UHFFFAOYSA-N
XLogP-0.02
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide (CID 64525021) is 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide is CCN(CC)C(=O)CCNC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is GOMGMLAQYJFWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-16(4-2)10(17)5-6-13-11(18)8-7-9(12)15-14-8/h7H,3-6H2,1-2H3,(H,13,18)(H3,12,14,15).
What are the key properties of 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(diethylamino)-3-oxopropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).