N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide

C7H12N4O2 — CID 155479853

IUPACN-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide
SMILESCC(N)COc1[nH]ncc1NC=O
InChIInChI=1S/C7H12N4O2/c1-5(8)3-13-7-6(9-4-12)2-10-11-7/h2,4-5H,3,8H2,1H3,(H,9,12)(H,10,11)
InChIKeyFYWQMIPEGPOLEC-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.30
Rot. Bonds5

About N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide

N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide (PubChem CID 155479853) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide
PubChem CID155479853
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide
SMILESCC(N)COc1[nH]ncc1NC=O
InChIInChI=1S/C7H12N4O2/c1-5(8)3-13-7-6(9-4-12)2-10-11-7/h2,4-5H,3,8H2,1H3,(H,9,12)(H,10,11)
InChIKeyFYWQMIPEGPOLEC-UHFFFAOYSA-N
XLogP-0.30
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide?
The IUPAC name of N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide (CID 155479853) is N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide.
What is the SMILES notation for N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide?
The canonical SMILES for N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide is CC(N)COc1[nH]ncc1NC=O.
What is the InChIKey of N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide?
The InChIKey is FYWQMIPEGPOLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-5(8)3-13-7-6(9-4-12)2-10-11-7/h2,4-5H,3,8H2,1H3,(H,9,12)(H,10,11).
What are the key properties of N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide?
N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide has a molecular weight of 184.20 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopropoxy)-1H-pyrazol-4-yl]formamide is sourced from PubChem (CID 155479853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).