1H-pyrazole-4-carboxamide;trihydrochloride

C4H8Cl3N3O — CID 155658869

IUPAC1H-pyrazole-4-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC(=O)c1cn[nH]c1
InChIInChI=1S/C4H5N3O.3ClH/c5-4(8)3-1-6-7-2-3;;;/h1-2H,(H2,5,8)(H,6,7);3*1H
InChIKeyLPOYFZOOTJBIAF-UHFFFAOYSA-N
MW220.49 g/mol
LogP0.77
Rot. Bonds1

About 1H-pyrazole-4-carboxamide;trihydrochloride

1H-pyrazole-4-carboxamide;trihydrochloride (PubChem CID 155658869) has the molecular formula C4H8Cl3N3O and a molecular weight of 220.49 g/mol. Its IUPAC name is 1H-pyrazole-4-carboxamide;trihydrochloride.

Molecular Properties

Compound Name1H-pyrazole-4-carboxamide;trihydrochloride
PubChem CID155658869
Molecular FormulaC4H8Cl3N3O
Molecular Weight220.49 g/mol
Exact Mass218.97
IUPAC Name1H-pyrazole-4-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC(=O)c1cn[nH]c1
InChIInChI=1S/C4H5N3O.3ClH/c5-4(8)3-1-6-7-2-3;;;/h1-2H,(H2,5,8)(H,6,7);3*1H
InChIKeyLPOYFZOOTJBIAF-UHFFFAOYSA-N
XLogP0.77
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.49
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrazole-4-carboxamide;hydrochloride
CID 68722047
1H-pyrazole-4-carboxylate
CID 7004927
2-methyl-3-oxo-3-(1H-pyrazol-4-yl)propanamide
CID 91099037
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
CID 62923169
ethyl 1H-pyrazole-4-carboxylate
CID 171406382
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
1-(1H-pyrazol-4-yl)prop-2-en-1-one
CID 130572968
1-(1H-pyrazol-4-yl)propan-1-one
CID 59363533
ethyl 1H-pyrazole-4-carboxylate;molecular hydrogen
CID 164534260
2,2-diaminoethyl 1H-pyrazole-4-carboxylate
CID 153327676
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-4-carboxamide;trihydrochloride?
The IUPAC name of 1H-pyrazole-4-carboxamide;trihydrochloride (CID 155658869) is 1H-pyrazole-4-carboxamide;trihydrochloride.
What is the SMILES notation for 1H-pyrazole-4-carboxamide;trihydrochloride?
The canonical SMILES for 1H-pyrazole-4-carboxamide;trihydrochloride is Cl.Cl.Cl.NC(=O)c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole-4-carboxamide;trihydrochloride?
The InChIKey is LPOYFZOOTJBIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.3ClH/c5-4(8)3-1-6-7-2-3;;;/h1-2H,(H2,5,8)(H,6,7);3*1H.
What are the key properties of 1H-pyrazole-4-carboxamide;trihydrochloride?
1H-pyrazole-4-carboxamide;trihydrochloride has a molecular weight of 220.49 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-4-carboxamide;trihydrochloride is sourced from PubChem (CID 155658869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).