4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide

C11H21N5O — CID 63693551

IUPAC4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CCCN(C)C)c1N
InChIInChI=1S/C11H21N5O/c1-8-9(12)10(14-13-8)11(17)16(4)7-5-6-15(2)3/h5-7,12H2,1-4H3,(H,13,14)
InChIKeyVNDVZFYKOCREIO-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.32
Rot. Bonds5

About 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide

4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 63693551) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID63693551
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)CCCN(C)C)c1N
InChIInChI=1S/C11H21N5O/c1-8-9(12)10(14-13-8)11(17)16(4)7-5-6-15(2)3/h5-7,12H2,1-4H3,(H,13,14)
InChIKeyVNDVZFYKOCREIO-UHFFFAOYSA-N
XLogP0.32
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 63693551) is 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)CCCN(C)C)c1N.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is VNDVZFYKOCREIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-9(12)10(14-13-8)11(17)16(4)7-5-6-15(2)3/h5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63693551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).