2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine

C12H22N4O — CID 103542534

IUPAC2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
SMILESCn1nccc1NCCCOC1CCNCC1
InChIInChI=1S/C12H22N4O/c1-16-12(5-9-15-16)14-6-2-10-17-11-3-7-13-8-4-11/h5,9,11,13-14H,2-4,6-8,10H2,1H3
InChIKeySMMJRFPFFKNSIW-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.99
Rot. Bonds6

About 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine

2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine (PubChem CID 103542534) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
PubChem CID103542534
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
SMILESCn1nccc1NCCCOC1CCNCC1
InChIInChI=1S/C12H22N4O/c1-16-12(5-9-15-16)14-6-2-10-17-11-3-7-13-8-4-11/h5,9,11,13-14H,2-4,6-8,10H2,1H3
InChIKeySMMJRFPFFKNSIW-UHFFFAOYSA-N
XLogP0.99
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-pyrrolidin-3-ylethyl)pyrazol-3-amine
CID 103542541
1-ethyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
CID 114252252
3-cyclohexyloxy-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663329
N-(3-piperidin-4-yloxypropyl)furo[3,2-c]pyridin-4-amine
CID 106535297
N'-(2-methylpyrazol-3-yl)propane-1,3-diamine
CID 63963092
1,3-dimethyl-5-(3-piperidin-4-yloxypropylamino)pyrazole-4-carbonitrile
CID 63870517
1-methyl-4-nitro-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine
CID 103080272
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 103542592
2-cyclopentyloxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001881
7-methyl-N-(2-piperidin-4-yloxyethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 63871172
3-methyl-2-(3-piperidin-4-yloxypropylamino)benzonitrile
CID 107111403
2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 115868560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The IUPAC name of 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine (CID 103542534) is 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine is Cn1nccc1NCCCOC1CCNCC1.
What is the InChIKey of 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
The InChIKey is SMMJRFPFFKNSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-16-12(5-9-15-16)14-6-2-10-17-11-3-7-13-8-4-11/h5,9,11,13-14H,2-4,6-8,10H2,1H3.
What are the key properties of 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine?
2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine has a molecular weight of 238.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-piperidin-4-yloxypropyl)pyrazol-3-amine is sourced from PubChem (CID 103542534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).