(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride

C8H14ClN3O — CID 138991108

IUPAC(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1nc(CN)c2c1CCOC2
InChIInChI=1S/C8H13N3O.ClH/c1-11-8-2-3-12-5-6(8)7(4-9)10-11;/h2-5,9H2,1H3;1H
InChIKeyZMFKVZQRKBVNTO-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.37
Rot. Bonds1

About (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride

(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride (PubChem CID 138991108) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride
PubChem CID138991108
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride
SMILESCl.Cn1nc(CN)c2c1CCOC2
InChIInChI=1S/C8H13N3O.ClH/c1-11-8-2-3-12-5-6(8)7(4-9)10-11;/h2-5,9H2,1H3;1H
InChIKeyZMFKVZQRKBVNTO-UHFFFAOYSA-N
XLogP0.37
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-3-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)urea
CID 71808522
methyl (2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)carbamate
CID 72718811
5-ethyl-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405713
2-[3-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanol
CID 97519885
{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methanol
CID 154814434
2-ethoxy-N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)acetamide
CID 72718825
N-((1-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methyl)cyclopropanesulfonamide
CID 72718831
N-(2-(3-(trifluoromethyl)-6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)propionamide
CID 72718810
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 90162053
3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 90162054
1-Methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 90167816
1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 118357774

Frequently Asked Questions

What is the IUPAC name of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride (CID 138991108) is (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride is Cl.Cn1nc(CN)c2c1CCOC2.
What is the InChIKey of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride?
The InChIKey is ZMFKVZQRKBVNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c1-11-8-2-3-12-5-6(8)7(4-9)10-11;/h2-5,9H2,1H3;1H.
What are the key properties of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride?
(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 138991108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).