1-butyl-4-nitrosopyrazol-5-amine;hydrochloride

Name: 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₃ClN₄O — CID 121225750

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-butyl-4-nitrosopyrazol-5-amine;hydrochloride

SMILESCCCCn1ncc(N=O)c1N.Cl

InChIInChI=1S/C7H12N4O.ClH/c1-2-3-4-11-7(8)6(10-12)5-9-11;/h5H,2-4,8H2,1H3;1H

InChIKeyQQQPDRQHSLTNRP-UHFFFAOYSA-N

MW204.66 g/mol

LogP2.09

Rot. Bonds4

About 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride

1-butyl-4-nitrosopyrazol-5-amine;hydrochloride (PubChem CID 121225750) has the molecular formula C₇H₁₃ClN₄O and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name	1-butyl-4-nitrosopyrazol-5-amine;hydrochloride
PubChem CID	121225750
Molecular Formula	C₇H₁₃ClN₄O
Molecular Weight	204.66 g/mol
Exact Mass	204.08
IUPAC Name	1-butyl-4-nitrosopyrazol-5-amine;hydrochloride
SMILES	CCCCn1ncc(N=O)c1N.Cl
InChI	InChI=1S/C7H12N4O.ClH/c1-2-3-4-11-7(8)6(10-12)5-9-11;/h5H,2-4,8H2,1H3;1H
InChIKey	QQQPDRQHSLTNRP-UHFFFAOYSA-N
XLogP	2.09
TPSA	73.27 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	204.66
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?

The IUPAC name of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride (CID 121225750) is 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride.

What is the SMILES notation for 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?

The canonical SMILES for 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride is CCCCn1ncc(N=O)c1N.Cl.

What is the InChIKey of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?

The InChIKey is QQQPDRQHSLTNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-2-3-4-11-7(8)6(10-12)5-9-11;/h5H,2-4,8H2,1H3;1H.

What are the key properties of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?

1-butyl-4-nitrosopyrazol-5-amine;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride is sourced from PubChem (CID 121225750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121225750 — identifiers, structure, computed properties (public domain)

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