4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol

C10H19N3O — CID 75356547

IUPAC4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1[nH]ncc1CNC(C)CCCO
InChIInChI=1S/C10H19N3O/c1-8(4-3-5-14)11-6-10-7-12-13-9(10)2/h7-8,11,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyLEBHRYBDVKCKEH-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.97
Rot. Bonds6

About 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol

4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 75356547) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID75356547
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol
SMILESCc1[nH]ncc1CNC(C)CCCO
InChIInChI=1S/C10H19N3O/c1-8(4-3-5-14)11-6-10-7-12-13-9(10)2/h7-8,11,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyLEBHRYBDVKCKEH-UHFFFAOYSA-N
XLogP0.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol (CID 75356547) is 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol is Cc1[nH]ncc1CNC(C)CCCO.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is LEBHRYBDVKCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(4-3-5-14)11-6-10-7-12-13-9(10)2/h7-8,11,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol?
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 75356547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).