piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

C20H30N6O — CID 146641232

IUPACpiperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCc1cn[nH]c1)C2
InChIInChI=1S/C20H30N6O/c1-2-8-26-18-7-6-16(21-12-15-13-22-23-14-15)11-17(18)19(24-26)20(27)25-9-4-3-5-10-25/h13-14,16,21H,2-12H2,1H3,(H,22,23)
InChIKeyNUNSZRLFFWHDBC-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.29
Rot. Bonds6

About piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone

piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 146641232) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
PubChem CID146641232
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Namepiperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCc1cn[nH]c1)C2
InChIInChI=1S/C20H30N6O/c1-2-8-26-18-7-6-16(21-12-15-13-22-23-14-15)11-17(18)19(24-26)20(27)25-9-4-3-5-10-25/h13-14,16,21H,2-12H2,1H3,(H,22,23)
InChIKeyNUNSZRLFFWHDBC-UHFFFAOYSA-N
XLogP2.29
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 91937942
CID 91937942
CID 91937943
CID 91937943
CID 91937944
CID 91937944
CID 91937949
CID 91937949
CID 91937960
CID 91937960
CID 91937963
CID 91937963
CID 91937964
CID 91937964
CID 91937965
CID 91937965
CID 91937946
CID 91937946
CID 50977929
CID 50977929
CID 56884693
CID 56884693
CID 71926929
CID 71926929

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 146641232) is piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCc1cn[nH]c1)C2.
What is the InChIKey of piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The InChIKey is NUNSZRLFFWHDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-2-8-26-18-7-6-16(21-12-15-13-22-23-14-15)11-17(18)19(24-26)20(27)25-9-4-3-5-10-25/h13-14,16,21H,2-12H2,1H3,(H,22,23).
What are the key properties of piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone?
piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 370.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-propyl-5-(1H-pyrazol-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 146641232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).