(1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine

C11H17N3 — CID 164650801

IUPAC(1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine
SMILESCc1cnn(C)c1C(N)C1CC12CC2
InChIInChI=1S/C11H17N3/c1-7-6-13-14(2)10(7)9(12)8-5-11(8)3-4-11/h6,8-9H,3-5,12H2,1-2H3
InChIKeyXKFSVFRLMOVDOV-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.53
Rot. Bonds2

About (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine

(1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine (PubChem CID 164650801) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine.

Molecular Properties

Compound Name(1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine
PubChem CID164650801
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine
SMILESCc1cnn(C)c1C(N)C1CC12CC2
InChIInChI=1S/C11H17N3/c1-7-6-13-14(2)10(7)9(12)8-5-11(8)3-4-11/h6,8-9H,3-5,12H2,1-2H3
InChIKeyXKFSVFRLMOVDOV-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine
CID 130775622
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637321
(1R)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 96637320
2-cyclopropyl-1-(1,4-dimethylpyrazol-5-yl)ethanamine
CID 130527432
(1,4-dimethylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 112742343
1-(1,4-dimethylpyrazol-5-yl)-2-(1-methylcyclopropyl)ethanol
CID 130943640
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567
(1,4-dimethylpyrazol-5-yl)-(1,3-thiazol-4-yl)methanamine
CID 130527433
(1,4-dimethylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 112742297
3-amino-1-(1,4-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130604592

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine?
The IUPAC name of (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine (CID 164650801) is (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine.
What is the SMILES notation for (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine?
The canonical SMILES for (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine is Cc1cnn(C)c1C(N)C1CC12CC2.
What is the InChIKey of (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine?
The InChIKey is XKFSVFRLMOVDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-7-6-13-14(2)10(7)9(12)8-5-11(8)3-4-11/h6,8-9H,3-5,12H2,1-2H3.
What are the key properties of (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine?
(1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine has a molecular weight of 191.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpyrazol-5-yl)-spiro[2.2]pentan-2-ylmethanamine is sourced from PubChem (CID 164650801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).