(3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone

C15H25N5O — CID 56760473

IUPAC(3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone
SMILESCN1CCCC2(CC1)CCN(C(=O)c1cc(N)n[nH]1)CC2
InChIInChI=1S/C15H25N5O/c1-19-7-2-3-15(4-8-19)5-9-20(10-6-15)14(21)12-11-13(16)18-17-12/h11H,2-10H2,1H3,(H3,16,17,18)
InChIKeyYXQYEDDMASDAIE-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.33
Rot. Bonds1

About (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone (PubChem CID 56760473) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone
PubChem CID56760473
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone
SMILESCN1CCCC2(CC1)CCN(C(=O)c1cc(N)n[nH]1)CC2
InChIInChI=1S/C15H25N5O/c1-19-7-2-3-15(4-8-19)5-9-20(10-6-15)14(21)12-11-13(16)18-17-12/h11H,2-10H2,1H3,(H3,16,17,18)
InChIKeyYXQYEDDMASDAIE-UHFFFAOYSA-N
XLogP1.33
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone (CID 56760473) is (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone is CN1CCCC2(CC1)CCN(C(=O)c1cc(N)n[nH]1)CC2.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone?
The InChIKey is YXQYEDDMASDAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-19-7-2-3-15(4-8-19)5-9-20(10-6-15)14(21)12-11-13(16)18-17-12/h11H,2-10H2,1H3,(H3,16,17,18).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone has a molecular weight of 291.40 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)methanone is sourced from PubChem (CID 56760473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).