N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine

C14H18N4O — CID 129261271

IUPACN-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine
SMILESCC1CC1Cn1cc(-c2ccc(N)c(NO)c2)cn1
InChIInChI=1S/C14H18N4O/c1-9-4-11(9)7-18-8-12(6-16-18)10-2-3-13(15)14(5-10)17-19/h2-3,5-6,8-9,11,17,19H,4,7,15H2,1H3
InChIKeyNFFWKISNXJQIIT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.59
Rot. Bonds4

About N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine

N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine (PubChem CID 129261271) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine
PubChem CID129261271
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine
SMILESCC1CC1Cn1cc(-c2ccc(N)c(NO)c2)cn1
InChIInChI=1S/C14H18N4O/c1-9-4-11(9)7-18-8-12(6-16-18)10-2-3-13(15)14(5-10)17-19/h2-3,5-6,8-9,11,17,19H,4,7,15H2,1H3
InChIKeyNFFWKISNXJQIIT-UHFFFAOYSA-N
XLogP2.59
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine?
The IUPAC name of N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine (CID 129261271) is N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine.
What is the SMILES notation for N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine?
The canonical SMILES for N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine is CC1CC1Cn1cc(-c2ccc(N)c(NO)c2)cn1.
What is the InChIKey of N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine?
The InChIKey is NFFWKISNXJQIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-4-11(9)7-18-8-12(6-16-18)10-2-3-13(15)14(5-10)17-19/h2-3,5-6,8-9,11,17,19H,4,7,15H2,1H3.
What are the key properties of N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine?
N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine has a molecular weight of 258.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[1-[(2-methylcyclopropyl)methyl]pyrazol-4-yl]phenyl]hydroxylamine is sourced from PubChem (CID 129261271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).