N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C15H27N3O — CID 63946105

IUPACN-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCCCCC(CC)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H27N3O/c1-3-5-7-13(4-2)17-14-10-16-18(11-14)12-15-8-6-9-19-15/h10-11,13,15,17H,3-9,12H2,1-2H3
InChIKeyUQEHBGMDDLJJEV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.44
Rot. Bonds8

About N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine

N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 63946105) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID63946105
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCCCCC(CC)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C15H27N3O/c1-3-5-7-13(4-2)17-14-10-16-18(11-14)12-15-8-6-9-19-15/h10-11,13,15,17H,3-9,12H2,1-2H3
InChIKeyUQEHBGMDDLJJEV-UHFFFAOYSA-N
XLogP3.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
3-(ethylamino)-2-methyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 62851309
2-[1-[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]ethyl]phenol
CID 43745581
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propan-1-ol
CID 62730194
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65197316
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 63946105) is N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine is CCCCC(CC)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is UQEHBGMDDLJJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-5-7-13(4-2)17-14-10-16-18(11-14)12-15-8-6-9-19-15/h10-11,13,15,17H,3-9,12H2,1-2H3.
What are the key properties of N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-1-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 63946105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).