1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine

C16H29N3O2 — CID 103546820

IUPAC1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)CC1OCCO1
InChIInChI=1S/C16H29N3O2/c1-4-7-17-15(12-16-20-9-10-21-16)11-14-6-8-19(18-14)13(3)5-2/h6,8,13,15-17H,4-5,7,9-12H2,1-3H3
InChIKeyKUJNOLRDIKANEE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.53
Rot. Bonds9

About 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine

1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine (PubChem CID 103546820) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
PubChem CID103546820
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccn(C(C)CC)n1)CC1OCCO1
InChIInChI=1S/C16H29N3O2/c1-4-7-17-15(12-16-20-9-10-21-16)11-14-6-8-19(18-14)13(3)5-2/h6,8,13,15-17H,4-5,7,9-12H2,1-3H3
InChIKeyKUJNOLRDIKANEE-UHFFFAOYSA-N
XLogP2.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine with MolForge

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-methylpropan-2-amine
CID 103546818
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethyl]propan-1-amine
CID 65352897
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104989907
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
1-(1-butan-2-ylpyrazol-3-yl)-3-methyl-N-propylhexan-2-amine
CID 104989878
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
1-(1-butan-2-ylpyrazol-3-yl)-3-methoxy-N-propylhexan-2-amine
CID 116719573
1-(1,3-dioxolan-2-yl)-N-propylbutan-2-amine
CID 103546362

Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine (CID 103546820) is 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccn(C(C)CC)n1)CC1OCCO1.
What is the InChIKey of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
The InChIKey is KUJNOLRDIKANEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-7-17-15(12-16-20-9-10-21-16)11-14-6-8-19(18-14)13(3)5-2/h6,8,13,15-17H,4-5,7,9-12H2,1-3H3.
What are the key properties of 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine?
1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylpyrazol-3-yl)-3-(1,3-dioxolan-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103546820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).