N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine

C13H23N3O — CID 122166158

IUPACN-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCCn1nc(C)cc1CNCC1CCCO1
InChIInChI=1S/C13H23N3O/c1-3-6-16-12(8-11(2)15-16)9-14-10-13-5-4-7-17-13/h8,13-14H,3-7,9-10H2,1-2H3
InChIKeyONFSKPTYQUKULD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.87
Rot. Bonds6

About N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 122166158) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID122166158
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCCn1nc(C)cc1CNCC1CCCO1
InChIInChI=1S/C13H23N3O/c1-3-6-16-12(8-11(2)15-16)9-14-10-13-5-4-7-17-13/h8,13-14H,3-7,9-10H2,1-2H3
InChIKeyONFSKPTYQUKULD-UHFFFAOYSA-N
XLogP1.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 43663218
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
N-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4269997
N-[(1-ethylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124932139
6-methyl-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 55156072
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166171
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
N-[(3-ethylimidazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 66135493
1-(oxolan-2-yl)-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126967597
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66162475

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 122166158) is N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine is CCCn1nc(C)cc1CNCC1CCCO1.
What is the InChIKey of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is ONFSKPTYQUKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-6-16-12(8-11(2)15-16)9-14-10-13-5-4-7-17-13/h8,13-14H,3-7,9-10H2,1-2H3.
What are the key properties of N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 122166158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).