N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine

C10H17N3O — CID 60920797

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCn1nccc1CNCC1CCOC1
InChIInChI=1S/C10H17N3O/c1-13-10(2-4-12-13)7-11-6-9-3-5-14-8-9/h2,4,9,11H,3,5-8H2,1H3
InChIKeyLAYFHRRXAFKYSS-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 60920797) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID60920797
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCn1nccc1CNCC1CCOC1
InChIInChI=1S/C10H17N3O/c1-13-10(2-4-12-13)7-11-6-9-3-5-14-8-9/h2,4,9,11H,3,5-8H2,1H3
InChIKeyLAYFHRRXAFKYSS-UHFFFAOYSA-N
XLogP0.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
N-[(2-methylpyrazol-3-yl)methyl]-1-(thian-4-yl)methanamine
CID 115671236
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79707316
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
CID 80554998
2-methyl-N-[2-(oxolan-3-yl)ethyl]pyrazol-3-amine
CID 130617330
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111648324
N-[(4-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 43196113
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
1-(oxolan-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748187

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine (CID 60920797) is N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine is Cn1nccc1CNCC1CCOC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is LAYFHRRXAFKYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-10(2-4-12-13)7-11-6-9-3-5-14-8-9/h2,4,9,11H,3,5-8H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 60920797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).