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

C8H12N2O2 — CID 154814434

IUPAC(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCOC2
InChIInChI=1S/C8H12N2O2/c1-10-8-2-3-12-5-6(8)7(4-11)9-10/h11H,2-5H2,1H3
InChIKeyXMPNORUQSBRMQN-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.01
Rot. Bonds1

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

(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol (PubChem CID 154814434) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol
PubChem CID154814434
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCOC2
InChIInChI=1S/C8H12N2O2/c1-10-8-2-3-12-5-6(8)7(4-11)9-10/h11H,2-5H2,1H3
InChIKeyXMPNORUQSBRMQN-UHFFFAOYSA-N
XLogP-0.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 82601243
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)methanamine hydrochloride
CID 138991108
(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methanol
CID 46318387
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
1,7-dimethyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 90168163
1-ethyl-7-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
CID 118357774
1-Isopropyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 121214644
ethane;1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 144505412

Frequently Asked Questions

What is the IUPAC name of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol?
The IUPAC name of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol (CID 154814434) is (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol.
What is the SMILES notation for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol?
The canonical SMILES for (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol is Cn1nc(CO)c2c1CCOC2.
What is the InChIKey of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol?
The InChIKey is XMPNORUQSBRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-8-2-3-12-5-6(8)7(4-11)9-10/h11H,2-5H2,1H3.
What are the key properties of (1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol?
(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol has a molecular weight of 168.20 g/mol, XLogP of -0.01, 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)methanol is sourced from PubChem (CID 154814434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).