(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone

C14H23N5O — CID 42873447

IUPAC(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2n[nH]c3c2CNCC3)CC1
InChIInChI=1S/C14H23N5O/c1-10(2)18-5-7-19(8-6-18)14(20)13-11-9-15-4-3-12(11)16-17-13/h10,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLAHLIVMUWQWSKO-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.22
Rot. Bonds2

About (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 42873447) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
PubChem CID42873447
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2n[nH]c3c2CNCC3)CC1
InChIInChI=1S/C14H23N5O/c1-10(2)18-5-7-19(8-6-18)14(20)13-11-9-15-4-3-12(11)16-17-13/h10,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyLAHLIVMUWQWSKO-UHFFFAOYSA-N
XLogP0.22
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone (CID 42873447) is (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone is CC(C)N1CCN(C(=O)c2n[nH]c3c2CNCC3)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
The InChIKey is LAHLIVMUWQWSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10(2)18-5-7-19(8-6-18)14(20)13-11-9-15-4-3-12(11)16-17-13/h10,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 42873447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).