5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol

C9H16N4O3 — CID 107318026

IUPAC5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
SMILESCn1cc([N+](=O)[O-])c(NCCCCCO)n1
InChIInChI=1S/C9H16N4O3/c1-12-7-8(13(15)16)9(11-12)10-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,10,11)
InChIKeyVYJQGUZFCOPORD-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.90
Rot. Bonds7

About 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol

5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol (PubChem CID 107318026) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
PubChem CID107318026
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol
SMILESCn1cc([N+](=O)[O-])c(NCCCCCO)n1
InChIInChI=1S/C9H16N4O3/c1-12-7-8(13(15)16)9(11-12)10-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,10,11)
InChIKeyVYJQGUZFCOPORD-UHFFFAOYSA-N
XLogP0.90
TPSA93.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
N-ethyl-N'-(1-methyl-4-nitropyrazol-3-yl)propane-1,3-diamine
CID 103080213
1-methyl-4-nitro-N-(3-propoxypropyl)pyrazol-3-amine
CID 103080049
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
CID 103079679
3-methyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]butan-1-ol
CID 103080149
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
CID 103080272
2-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethoxy]acetamide
CID 106239305

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol?
The IUPAC name of 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol (CID 107318026) is 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol.
What is the SMILES notation for 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol?
The canonical SMILES for 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol is Cn1cc([N+](=O)[O-])c(NCCCCCO)n1.
What is the InChIKey of 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol?
The InChIKey is VYJQGUZFCOPORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-12-7-8(13(15)16)9(11-12)10-5-3-2-4-6-14/h7,14H,2-6H2,1H3,(H,10,11).
What are the key properties of 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol?
5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol has a molecular weight of 228.25 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-1-ol is sourced from PubChem (CID 107318026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).