trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

C19H29N5 — CID 171409689

IUPACtrans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CCCC3)nc12
InChIInChI=1S/C19H29N5/c1-2-14-12-21-24-18(22-16-8-7-15(20)10-16)11-17(23-19(14)24)9-13-5-3-4-6-13/h11-13,15-16,22H,2-10,20H2,1H3/t15-,16-/m0/s1
InChIKeyKASYEHMCAVIQBN-HOTGVXAUSA-N
MW327.48 g/mol
LogP3.32
Rot. Bonds5

About trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 171409689) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID171409689
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Nametrans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CCCC3)nc12
InChIInChI=1S/C19H29N5/c1-2-14-12-21-24-18(22-16-8-7-15(20)10-16)11-17(23-19(14)24)9-13-5-3-4-6-13/h11-13,15-16,22H,2-10,20H2,1H3/t15-,16-/m0/s1
InChIKeyKASYEHMCAVIQBN-HOTGVXAUSA-N
XLogP3.32
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 171409689) is trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is CCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC3CCCC3)nc12.
What is the InChIKey of trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is KASYEHMCAVIQBN-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H29N5/c1-2-14-12-21-24-18(22-16-8-7-15(20)10-16)11-17(23-19(14)24)9-13-5-3-4-6-13/h11-13,15-16,22H,2-10,20H2,1H3/t15-,16-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 327.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171409689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).