N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline

C14H19N3O — CID 43663707

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
SMILESCc1[nH]ncc1CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)18-14-6-4-13(5-7-14)15-8-12-9-16-17-11(12)3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyFYYOGVAWIAPOHI-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.12
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline (PubChem CID 43663707) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
PubChem CID43663707
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline
SMILESCc1[nH]ncc1CNc1ccc(OC(C)C)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)18-14-6-4-13(5-7-14)15-8-12-9-16-17-11(12)3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)
InChIKeyFYYOGVAWIAPOHI-UHFFFAOYSA-N
XLogP3.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 83002244
4-(2-methoxyethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43734233
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methanamine
CID 56823459
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
tert-butyl N-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]carbamate
CID 103818455
3-chloro-4-(difluoromethoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663580
N-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43683696
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43663437
3-iodo-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43716345
N-[(2-methyl-1H-imidazol-5-yl)methyl]-4-propan-2-yloxyaniline
CID 62743816
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 43715681

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline (CID 43663707) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline is Cc1[nH]ncc1CNc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline?
The InChIKey is FYYOGVAWIAPOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)18-14-6-4-13(5-7-14)15-8-12-9-16-17-11(12)3/h4-7,9-10,15H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline has a molecular weight of 245.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 43663707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).