N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine

C9H16N4 — CID 79707456

IUPACN-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NCC1CCNCC1
InChIInChI=1S/C9H16N4/c1-3-10-4-2-8(1)5-11-9-6-12-13-7-9/h6-8,10-11H,1-5H2,(H,12,13)
InChIKeyBYISXQUPABVBKY-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.82
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine

N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine (PubChem CID 79707456) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine
PubChem CID79707456
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC NameN-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NCC1CCNCC1
InChIInChI=1S/C9H16N4/c1-3-10-4-2-8(1)5-11-9-6-12-13-7-9/h6-8,10-11H,1-5H2,(H,12,13)
InChIKeyBYISXQUPABVBKY-UHFFFAOYSA-N
XLogP0.82
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-1H-pyrazol-4-amine
CID 62071556
N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 130748030
N-(1H-pyrazol-4-yl)-2-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 130748029
3,5-dimethyl-N-(piperidin-4-ylmethyl)pyridin-4-amine
CID 83837408
N-(piperidin-4-ylmethyl)quinolin-3-amine
CID 79707909
4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
CID 144503666
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)aniline
CID 107582312
4-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 83479564
N-(piperidin-4-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 79708149
3-methoxy-5-methyl-N-(piperidin-4-ylmethyl)pyrazin-2-amine
CID 22135591
5-methoxy-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 162422916

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine (CID 79707456) is N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine is c1n[nH]cc1NCC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine?
The InChIKey is BYISXQUPABVBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-10-4-2-8(1)5-11-9-6-12-13-7-9/h6-8,10-11H,1-5H2,(H,12,13).
What are the key properties of N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine?
N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine has a molecular weight of 180.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 79707456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).