N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine

C16H26N6 — CID 56900857

IUPACN-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine
SMILESCN(CCCc1cnn(C)c1)Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C16H26N6/c1-20(7-3-5-14-10-18-21(2)12-14)13-15-9-16-11-17-6-4-8-22(16)19-15/h9-10,12,17H,3-8,11,13H2,1-2H3
InChIKeyXOEKQTUJKPOUAJ-UHFFFAOYSA-N
MW302.43 g/mol
LogP1.17
Rot. Bonds6

About N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine

N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine (PubChem CID 56900857) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine
PubChem CID56900857
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC NameN-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine
SMILESCN(CCCc1cnn(C)c1)Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C16H26N6/c1-20(7-3-5-14-10-18-21(2)12-14)13-15-9-16-11-17-6-4-8-22(16)19-15/h9-10,12,17H,3-8,11,13H2,1-2H3
InChIKeyXOEKQTUJKPOUAJ-UHFFFAOYSA-N
XLogP1.17
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine (CID 56900857) is N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine is CN(CCCc1cnn(C)c1)Cc1cc2n(n1)CCCNC2.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine?
The InChIKey is XOEKQTUJKPOUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6/c1-20(7-3-5-14-10-18-21(2)12-14)13-15-9-16-11-17-6-4-8-22(16)19-15/h9-10,12,17H,3-8,11,13H2,1-2H3.
What are the key properties of N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine?
N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine has a molecular weight of 302.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 56900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).