4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide

C10H17N5O2 — CID 55034138

IUPAC4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC(=O)N(C)C)c1N
InChIInChI=1S/C10H17N5O2/c1-6-8(11)9(14-13-6)10(17)12-5-4-7(16)15(2)3/h4-5,11H2,1-3H3,(H,12,17)(H,13,14)
InChIKeyWVEULGUVXDECSQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.49
Rot. Bonds4

About 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 55034138) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID55034138
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC(=O)N(C)C)c1N
InChIInChI=1S/C10H17N5O2/c1-6-8(11)9(14-13-6)10(17)12-5-4-7(16)15(2)3/h4-5,11H2,1-3H3,(H,12,17)(H,13,14)
InChIKeyWVEULGUVXDECSQ-UHFFFAOYSA-N
XLogP-0.49
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 55034138) is 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCC(=O)N(C)C)c1N.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is WVEULGUVXDECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6-8(11)9(14-13-6)10(17)12-5-4-7(16)15(2)3/h4-5,11H2,1-3H3,(H,12,17)(H,13,14).
What are the key properties of 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)-3-oxopropyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).