4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol

C13H17N3O — CID 105423469

IUPAC4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
SMILESCn1ncc(-c2ccc(O)cc2)c1CCCN
InChIInChI=1S/C13H17N3O/c1-16-13(3-2-8-14)12(9-15-16)10-4-6-11(17)7-5-10/h4-7,9,17H,2-3,8,14H2,1H3
InChIKeyBNVQDSCEDZMXQH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds4

About 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol

4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol (PubChem CID 105423469) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
PubChem CID105423469
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
SMILESCn1ncc(-c2ccc(O)cc2)c1CCCN
InChIInChI=1S/C13H17N3O/c1-16-13(3-2-8-14)12(9-15-16)10-4-6-11(17)7-5-10/h4-7,9,17H,2-3,8,14H2,1H3
InChIKeyBNVQDSCEDZMXQH-UHFFFAOYSA-N
XLogP1.68
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423466
2-[4-(4-hydroxyphenyl)-1-methylpyrazol-5-yl]acetic acid
CID 105423482
[4-(4-chlorophenyl)-1-methylpyrazol-5-yl]methanol
CID 89482659
4-amino-5-(4-hydroxyphenyl)-2-methylpyridazin-3-one
CID 117127654
4-[1-methyl-5-(piperidin-2-ylmethyl)pyrazol-4-yl]phenol
CID 115053624
(1-methyl-4-phenylpyrazol-5-yl)methanol
CID 83383743
6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]naphthalen-2-ol
CID 167849922
4-[2-(3-aminopropyl)phenyl]phenol
CID 83384327
4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
CID 136758061
4-(3-aminopropyl)phenol
CID 4574248
[4-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-methylpyrazol-5-yl]methanamine
CID 166257821
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
The IUPAC name of 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol (CID 105423469) is 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol.
What is the SMILES notation for 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
The canonical SMILES for 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol is Cn1ncc(-c2ccc(O)cc2)c1CCCN.
What is the InChIKey of 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
The InChIKey is BNVQDSCEDZMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-13(3-2-8-14)12(9-15-16)10-4-6-11(17)7-5-10/h4-7,9,17H,2-3,8,14H2,1H3.
What are the key properties of 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol?
4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol is sourced from PubChem (CID 105423469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).