N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride

C8H15ClN4O — CID 174670115

IUPACN-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
SMILESCCCc1nn(C)c(NC=O)c1N.Cl
InChIInChI=1S/C8H14N4O.ClH/c1-3-4-6-7(9)8(10-5-13)12(2)11-6;/h5H,3-4,9H2,1-2H3,(H,10,13);1H
InChIKeyRLDHLQNKWRYJJV-UHFFFAOYSA-N
MW218.69 g/mol
LogP0.94
Rot. Bonds4

About N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride

N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride (PubChem CID 174670115) has the molecular formula C8H15ClN4O and a molecular weight of 218.69 g/mol. Its IUPAC name is N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride.

Molecular Properties

Compound NameN-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
PubChem CID174670115
Molecular FormulaC8H15ClN4O
Molecular Weight218.69 g/mol
Exact Mass218.09
IUPAC NameN-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride
SMILESCCCc1nn(C)c(NC=O)c1N.Cl
InChIInChI=1S/C8H14N4O.ClH/c1-3-4-6-7(9)8(10-5-13)12(2)11-6;/h5H,3-4,9H2,1-2H3,(H,10,13);1H
InChIKeyRLDHLQNKWRYJJV-UHFFFAOYSA-N
XLogP0.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride?
The IUPAC name of N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride (CID 174670115) is N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride.
What is the SMILES notation for N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride?
The canonical SMILES for N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride is CCCc1nn(C)c(NC=O)c1N.Cl.
What is the InChIKey of N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride?
The InChIKey is RLDHLQNKWRYJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.ClH/c1-3-4-6-7(9)8(10-5-13)12(2)11-6;/h5H,3-4,9H2,1-2H3,(H,10,13);1H.
What are the key properties of N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride?
N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methyl-3-propylpyrazol-5-yl)formamide;hydrochloride is sourced from PubChem (CID 174670115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).