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

C11H21N5O — CID 63699818

IUPAC3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)CCCN(C)C
InChIInChI=1S/C11H21N5O/c1-8-9(10(12)14-13-8)11(17)16(4)7-5-6-15(2)3/h5-7H2,1-4H3,(H3,12,13,14)
InChIKeyDHTPBNWWDIHPIS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.32
Rot. Bonds5

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

3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 63699818) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID63699818
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(N)c1C(=O)N(C)CCCN(C)C
InChIInChI=1S/C11H21N5O/c1-8-9(10(12)14-13-8)11(17)16(4)7-5-6-15(2)3/h5-7H2,1-4H3,(H3,12,13,14)
InChIKeyDHTPBNWWDIHPIS-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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Related Compounds

5-amino-3-methyl-1H-pyrazole-4-carboxamide
CID 358965
3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135780309
5-amino-N,3-dimethyl-1H-pyrazole-4-carboxamide
CID 43159399
5-amino-3-methyl-N-(2,2-dimethoxyethyl)-1h-pyrazole-4-carboxamide
CID 129755253
3-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60890845
3-amino-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607403
3-amino-N-cyclopropyl-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607512
3-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607514
3-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 61607553
(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 62971795
3-amino-5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-carboxamide
CID 63227915
3-amino-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 63834079

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide (CID 63699818) is 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(N)c1C(=O)N(C)CCCN(C)C.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is DHTPBNWWDIHPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-9(10(12)14-13-8)11(17)16(4)7-5-6-15(2)3/h5-7H2,1-4H3,(H3,12,13,14).
What are the key properties of 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-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 3-amino-N-[3-(dimethylamino)propyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63699818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).