5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine

C14H20N4O — CID 117038662

IUPAC5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
SMILESCC(C)Oc1ccc(N(C)Cc2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H20N4O/c1-10(2)19-13-6-4-12(5-7-13)18(3)9-11-8-14(15)17-16-11/h4-8,10H,9H2,1-3H3,(H3,15,16,17)
InChIKeyGPYJWDKOXIJSHK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.42
Rot. Bonds5

About 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine

5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine (PubChem CID 117038662) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
PubChem CID117038662
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
SMILESCC(C)Oc1ccc(N(C)Cc2cc(N)n[nH]2)cc1
InChIInChI=1S/C14H20N4O/c1-10(2)19-13-6-4-12(5-7-13)18(3)9-11-8-14(15)17-16-11/h4-8,10H,9H2,1-3H3,(H3,15,16,17)
InChIKeyGPYJWDKOXIJSHK-UHFFFAOYSA-N
XLogP2.42
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
5-[(2-chloro-4-methoxy-N-methylanilino)methyl]-1H-pyrazol-3-amine
CID 117038673
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
CID 117038622
5-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038750
5-[(4-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-amine
CID 82082161
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 115204805
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
CID 117038672
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
3-amino-N-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 64524809
5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038795
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
CID 117215911

Frequently Asked Questions

What is the IUPAC name of 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine (CID 117038662) is 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine is CC(C)Oc1ccc(N(C)Cc2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine?
The InChIKey is GPYJWDKOXIJSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10(2)19-13-6-4-12(5-7-13)18(3)9-11-8-14(15)17-16-11/h4-8,10H,9H2,1-3H3,(H3,15,16,17).
What are the key properties of 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine?
5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).