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

C10H17N3O — CID 43663218

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCn1nccc1CNCC1CCCO1
InChIInChI=1S/C10H17N3O/c1-13-9(4-5-12-13)7-11-8-10-3-2-6-14-10/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyHNIYWMKLUXSVHV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.69
Rot. Bonds4

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

N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 43663218) 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-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID43663218
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCn1nccc1CNCC1CCCO1
InChIInChI=1S/C10H17N3O/c1-13-9(4-5-12-13)7-11-8-10-3-2-6-14-10/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyHNIYWMKLUXSVHV-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dioxan-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 81102183
1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126967597
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 122166065
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 126965651
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663124
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 43663218) is N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine is Cn1nccc1CNCC1CCCO1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is HNIYWMKLUXSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-9(4-5-12-13)7-11-8-10-3-2-6-14-10/h4-5,10-11H,2-3,6-8H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 0.69, 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-2-yl)methanamine is sourced from PubChem (CID 43663218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).