3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane

C12H23ClN4 — CID 169145497

IUPAC3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
SMILESCC.CC(C)N1CCCn2nc(N)c(Cl)c2C1
InChIInChI=1S/C10H17ClN4.C2H6/c1-7(2)14-4-3-5-15-8(6-14)9(11)10(12)13-15;1-2/h7H,3-6H2,1-2H3,(H2,12,13);1-2H3
InChIKeyRAGGCCNPIOOWLS-UHFFFAOYSA-N
MW258.80 g/mol
LogP2.76
Rot. Bonds1

About 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane

3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane (PubChem CID 169145497) has the molecular formula C12H23ClN4 and a molecular weight of 258.80 g/mol. Its IUPAC name is 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane.

Molecular Properties

Compound Name3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
PubChem CID169145497
Molecular FormulaC12H23ClN4
Molecular Weight258.80 g/mol
Exact Mass258.16
IUPAC Name3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
SMILESCC.CC(C)N1CCCn2nc(N)c(Cl)c2C1
InChIInChI=1S/C10H17ClN4.C2H6/c1-7(2)14-4-3-5-15-8(6-14)9(11)10(12)13-15;1-2/h7H,3-6H2,1-2H3,(H2,12,13);1-2H3
InChIKeyRAGGCCNPIOOWLS-UHFFFAOYSA-N
XLogP2.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-1-isopropyl-5-methyl-1H-pyrazol-3-amine
CID 19619856
3-chloro-N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
CID 168942778
3-chloro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 169126367
3-Chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 169145498
3-Chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
CID 169145678
3-chloro-N,N,5-trimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
CID 169146011
3-Chloro-5-ethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170223442
3-Methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170601810
3-chloro-N,N,5-trimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide;ethane
CID 170601824
3-Chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane
CID 170601873
N,N'-diamino-3-chloro-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboximidamide
CID 170601878
3-chloro-N-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-amine
CID 170622435

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane?
The IUPAC name of 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane (CID 169145497) is 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane.
What is the SMILES notation for 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane?
The canonical SMILES for 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane is CC.CC(C)N1CCCn2nc(N)c(Cl)c2C1.
What is the InChIKey of 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane?
The InChIKey is RAGGCCNPIOOWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4.C2H6/c1-7(2)14-4-3-5-15-8(6-14)9(11)10(12)13-15;1-2/h7H,3-6H2,1-2H3,(H2,12,13);1-2H3.
What are the key properties of 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane?
3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane has a molecular weight of 258.80 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-amine;ethane is sourced from PubChem (CID 169145497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).