4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide

C9H17N5O — CID 82944742

IUPAC4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(CN(C)C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C9H17N5O/c1-6(5-14(2)3)12-9(15)8-7(10)4-11-13-8/h4,6H,5,10H2,1-3H3,(H,11,13)(H,12,15)
InChIKeyFKDWBTHWLWWTOR-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.33
Rot. Bonds4

About 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide

4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 82944742) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID82944742
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(CN(C)C)NC(=O)c1[nH]ncc1N
InChIInChI=1S/C9H17N5O/c1-6(5-14(2)3)12-9(15)8-7(10)4-11-13-8/h4,6H,5,10H2,1-3H3,(H,11,13)(H,12,15)
InChIKeyFKDWBTHWLWWTOR-UHFFFAOYSA-N
XLogP-0.33
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide (CID 82944742) is 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide is CC(CN(C)C)NC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is FKDWBTHWLWWTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(5-14(2)3)12-9(15)8-7(10)4-11-13-8/h4,6H,5,10H2,1-3H3,(H,11,13)(H,12,15).
What are the key properties of 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide?
4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 211.27 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)propan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 82944742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).