N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine

C12H21N3O — CID 115685569

IUPACN-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NCC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-2-7-15-12(3-6-14-15)13-10-11-4-8-16-9-5-11/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyJVLBBFNBHQKTPR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds5

About N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine

N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine (PubChem CID 115685569) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine
PubChem CID115685569
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NCC1CCOCC1
InChIInChI=1S/C12H21N3O/c1-2-7-15-12(3-6-14-15)13-10-11-4-8-16-9-5-11/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyJVLBBFNBHQKTPR-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-propylpyrazol-3-amine
CID 115756665
2-methyl-N-[(4-methylcyclohexyl)methyl]pyrazol-3-amine
CID 115868560
N-(2-ethylbutyl)-2-propylpyrazol-3-amine
CID 115924285
N-(oxolan-3-ylmethyl)-1-propylpyrazol-4-amine
CID 115887965
N-[(1-methylpyrazol-3-yl)methyl]-2-propylpyrazol-3-amine
CID 115606222
2-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazol-3-amine
CID 130617330
5-chloro-2-(cyclopropylmethyl)-4-(oxan-4-ylmethylamino)pyridazin-3-one
CID 114437978
2-propyl-N-(thiophen-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606235
2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606229
2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115606212
2,6-dimethyl-N-(oxan-4-ylmethyl)aniline
CID 62387138
N-(1-ethoxypropan-2-yl)-2-propylpyrazol-3-amine
CID 115926039

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine (CID 115685569) is N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine is CCCn1nccc1NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine?
The InChIKey is JVLBBFNBHQKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-7-15-12(3-6-14-15)13-10-11-4-8-16-9-5-11/h3,6,11,13H,2,4-5,7-10H2,1H3.
What are the key properties of N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine?
N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-propylpyrazol-3-amine is sourced from PubChem (CID 115685569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).