N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide

C9H16N4O — CID 87836826

IUPACN-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide
SMILESCCCc1nn(CC)c(NC=O)c1N
InChIInChI=1S/C9H16N4O/c1-3-5-7-8(10)9(11-6-14)13(4-2)12-7/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyLMURTKOKAWVODT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.01
Rot. Bonds5

About N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide

N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide (PubChem CID 87836826) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide
PubChem CID87836826
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide
SMILESCCCc1nn(CC)c(NC=O)c1N
InChIInChI=1S/C9H16N4O/c1-3-5-7-8(10)9(11-6-14)13(4-2)12-7/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyLMURTKOKAWVODT-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66013855
3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66014045
5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014216
3-ethyl-1-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014817
3-ethyl-1-methyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66016040
3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66016162
5-N-ethyl-1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66017134
1-methyl-5-N,3-dipropyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66017519
1-methyl-5-N-propan-2-yl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66017520
1-methyl-3-propyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66017928
1-methyl-3-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66018250
5-N,1-dimethyl-3-propyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66018327

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide?
The IUPAC name of N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide (CID 87836826) is N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide.
What is the SMILES notation for N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide?
The canonical SMILES for N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide is CCCc1nn(CC)c(NC=O)c1N.
What is the InChIKey of N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide?
The InChIKey is LMURTKOKAWVODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-5-7-8(10)9(11-6-14)13(4-2)12-7/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide?
N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide has a molecular weight of 196.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-ethyl-3-propylpyrazol-5-yl)formamide is sourced from PubChem (CID 87836826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).